GLYCAM-L Archives

Users of GLYCAM & GLYCAM-Web

GLYCAM-L@LISTSERV.UGA.EDU
Created 05/01/2015 List_Affiliation UGA Complex Carbohydrate Research Center (CCRC)
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Aarya Venkat (4 Messages)
Alejandro Cagnoni (3 Messages)
Ali Khodayari (6 Messages)
Ana Poveda (2 Messages)
Andrew Guy (1 Message)
Andy Franz (2 Messages)
Anjaiah Nalaparaju (2 Messages)
anu chandra (9 Messages)
Arunima Singh (12 Messages)
B. Lachele Foley (2 Messages)
Beibei Wang (1 Message)
Bisignano, Paola (2 Messages)
Casalini Tommaso (7 Messages)
Cesar Avila (3 Messages)
David Thieker (11 Messages)
Davis Templeton (1 Message)
Elvis Martis (2 Messages)
Fulbabu Sk (1 Message)
Gordon Richard Chalmers (1 Message)
Gustaf Olsson (7 Messages)
Gustavo Avelar Molina (3 Messages)
Hallel Freedman (7 Messages)
Ida seb (1 Message)
J. Martinez (1 Message)
Javier Lopez (2 Messages)
Jerome de Ruyck (1 Message)
Jeyaram R A (2 Messages)
Jodi Ann Hadden (4 Messages)
Jodi Hadden (1 Message)
Jordi Bujons (3 Messages)
Kanin Wichapong (2 Messages)
Kit Sang Chu (2 Messages)
Lachele Foley (59 Messages)
Lara rajam (5 Messages)
Laura Morris (8 Messages)
Lee-Ping Wang (6 Messages)
Mahrukh Imtiaz (3 Messages)
Manuel Maestre Reyna (5 Messages)
Matthew Guberman-Pfeffer (3 Messages)
mmaestre (2 Messages)
Mohit Chhabra (2 Messages)
monia kam (10 Messages)
Nagar, Hemant (2 Messages)
Natesan Mani (5 Messages)
Naveen Kumar Vasudevan (13 Messages)
Neha Gandhi (3 Messages)
Neha S. Gandhi (16 Messages)

Subject

From Sorted by Sender, Alphabetically

Date
New Sender Aarya Venkat
Gromacs Glycam tleap issue
Aarya Venkat
Wed, 31 Oct 2018 13:27:14 +0000
Re: Gromacs Glycam tleap issue
Aarya Venkat
Fri, 9 Nov 2018 17:03:32 +0000
Re: Gromacs Glycam tleap issue
Aarya Venkat
Tue, 13 Nov 2018 20:11:02 +0000
Re: [AMBER] tleap error in reading structure generated from GLYCAM web
Aarya Venkat
Tue, 14 May 2019 14:35:51 +0000
New Sender Alejandro Cagnoni
Re: Amber tleap: Fatal error "Atom does not have file type" -reg
Alejandro Cagnoni
Mon, 10 Feb 2020 16:46:32 -0300
[AMBER] tleap error in reading structure generated from GLYCAM web
Alejandro Cagnoni
Mon, 13 May 2019 13:20:10 -0300
Re: [AMBER] tleap error in reading structure generated from GLYCAM web
Alejandro Cagnoni
Tue, 14 May 2019 11:00:29 -0300
New Sender Ali Khodayari
Carboxymethyl residue
Ali Khodayari
Mon, 2 Nov 2020 15:47:38 +0100
Forcefield parameters to use in GROMACS
Ali Khodayari
Mon, 22 Oct 2018 14:24:16 +0200
Glucuronic acid in GLYCAM06
Ali Khodayari
Fri, 26 Jun 2020 22:15:45 +0200
Re: Glucuronic acid in GLYCAM06
Ali Khodayari
Fri, 26 Jun 2020 23:55:22 +0200
Re: Glucuronic acid in GLYCAM06
Ali Khodayari
Sat, 27 Jun 2020 12:15:58 +0200
Re: Glucuronic acid in GLYCAM06
Ali Khodayari
Sat, 27 Jun 2020 12:19:55 +0200
New Sender Ana Poveda
Re: GlcNH2
Ana Poveda
Wed, 29 Mar 2017 05:47:31 -0400
Re: GlcNH2
Ana Poveda
Thu, 30 Mar 2017 08:07:32 +0000
New Sender Andrew Guy
Beta 1-6 linkage for GlcNH2
Andrew Guy
Mon, 24 Sep 2018 12:10:54 +1000
New Sender Andy Franz
MeDMan MD-simulation - help request
Andy Franz
Tue, 3 Mar 2020 01:48:05 +0000
Re: MeDMan MD-simulation - help request
Andy Franz
Tue, 3 Mar 2020 03:45:38 +0000
New Sender Anjaiah Nalaparaju
GLYCAM parameters for Mannuronic acid !
Anjaiah Nalaparaju
Mon, 1 Aug 2016 17:28:24 +0800
Re: GLYCAM parameters for Mannuronic acid !
Anjaiah Nalaparaju
Mon, 1 Aug 2016 23:44:00 +0800
New Sender anu chandra
Re: Amber compactible heparin parameters
anu chandra
Tue, 17 Nov 2015 13:28:55 +0000
Re: Amber compactible heparin parameters
anu chandra
Tue, 17 Nov 2015 16:27:12 +0000
Re: Amber compactible heparin parameters
anu chandra
Wed, 18 Nov 2015 13:31:50 +0000
Re: Amber compactible heparin parameters
anu chandra
Wed, 18 Nov 2015 17:04:01 +0000
Re: Amber compactible heparin parameters
anu chandra
Wed, 18 Nov 2015 18:19:17 +0000
Re: Amber compactible heparin parameters
anu chandra
Sun, 22 Nov 2015 20:47:34 +0530
Re: Amber compactible heparin parameters
anu chandra
Mon, 23 Nov 2015 11:14:34 +0000
Re: Amber compactible heparin parameters
anu chandra
Sat, 5 Dec 2015 11:40:44 +0000
Re: Amber compactible heparin parameters
anu chandra
Sun, 6 Dec 2015 19:46:02 +0530
New Sender Arunima Singh
Re: Amber compactible heparin parameters
Arunima Singh
Thu, 3 Dec 2015 10:20:28 -0500
Re: Amber compactible heparin parameters
Arunima Singh
Thu, 3 Dec 2015 19:01:49 -0500
Re: Amber compactible heparin parameters
Arunima Singh
Thu, 3 Dec 2015 19:41:08 -0500
Re: Amber compactible heparin parameters
Arunima Singh
Sat, 5 Dec 2015 09:33:18 -0500
Re: Non terminal Protonated β-D-Glucosamine
Arunima Singh
Tue, 12 Mar 2019 09:15:59 -0400
Re: Non terminal Protonated β-D-Glucosamine
Arunima Singh
Tue, 12 Mar 2019 11:48:42 -0400
Re: Non terminal Protonated β-D-Glucosamine
Arunima Singh
Tue, 12 Mar 2019 13:53:43 -0400
Re: Non-terminal protonated version of Glucuronic Acid
Arunima Singh
Tue, 26 Mar 2019 09:40:55 -0400
Re: Non-terminal protonated version of Glucuronic Acid
Arunima Singh
Fri, 12 Apr 2019 11:36:43 -0400
Re: Reg: Protonated Glucosamine residues
Arunima Singh
Fri, 27 Mar 2020 14:50:45 -0400
Re: Reg: Protonated Glucosamine residues
Arunima Singh
Mon, 30 Mar 2020 19:05:08 -0400
Re: Reg: Protonated Glucosamine residues
Arunima Singh
Wed, 1 Apr 2020 10:52:20 -0400
New Sender B. Lachele Foley
Fw: Heparin Amber parameters from online GLYCAM builder
B. Lachele Foley
Thu, 13 Jul 2017 20:20:15 +0000
List now public!
B. Lachele Foley
Wed, 20 May 2015 17:30:22 +0000
New Sender Beibei Wang
building a branched Araf structure
Beibei Wang
Wed, 21 Sep 2016 20:19:58 +0000
New Sender Bisignano, Paola
Re: parameters for neuraminic acid
Bisignano, Paola
Wed, 8 Jun 2016 17:03:38 +0000
sugar derivatives parametrization
Bisignano, Paola
Wed, 17 Oct 2018 22:54:00 +0000
New Sender Casalini Tommaso
Charge derivation in GLYCAM
Casalini Tommaso
Tue, 5 Jul 2016 08:21:58 +0000
Re: Charge derivation in GLYCAM
Casalini Tommaso
Tue, 5 Jul 2016 14:51:27 +0000
Re: Glycam06 for hyaluronic Acid
Casalini Tommaso
Wed, 20 Mar 2019 14:35:03 +0000
Non terminal Protonated β-D-Glucosamine
Casalini Tommaso
Tue, 12 Mar 2019 11:58:19 +0000
Re: Non terminal Protonated β-D-Glucosamine
Casalini Tommaso
Tue, 12 Mar 2019 15:06:58 +0000
Re: Non terminal Protonated β-D-Glucosamine
Casalini Tommaso
Wed, 13 Mar 2019 16:24:40 +0000
Re: Non-terminal protonated version of Glucuronic Acid
Casalini Tommaso
Tue, 2 Apr 2019 13:54:58 +0000
New Sender Cesar Avila
Residue on parm file from gag builder missing in GLYCAM_06j-1.prep
Cesar Avila
Tue, 25 Jul 2017 18:35:42 -0400
Re: Residue on parm file from gag builder missing in GLYCAM_06j-1.prep
Cesar Avila
Wed, 26 Jul 2017 12:23:41 -0300
Re: Residue on parm file from gag builder missing in GLYCAM_06j-1.prep
Cesar Avila
Wed, 26 Jul 2017 19:26:01 -0300
New Sender David Thieker
Re: 4uA1 & 0uA1 (what's the 1?)
David Thieker
Tue, 19 Dec 2017 12:35:54 -0500
Re: GlcNH2
David Thieker
Fri, 3 Mar 2017 18:02:12 -0500
Re: GlcNH2
David Thieker
Mon, 6 Mar 2017 12:47:08 -0500
Re: GlcNH2
David Thieker
Wed, 15 Mar 2017 13:32:04 -0400
Re: GlcNH2
David Thieker
Wed, 29 Mar 2017 14:45:59 -0400
Re: Heparin in AMBER
David Thieker
Mon, 24 Apr 2017 10:56:15 -0400
Re: Residue on parm file from gag builder missing in GLYCAM_06j-1.prep
David Thieker
Tue, 25 Jul 2017 21:02:37 -0400
Re: Residue on parm file from gag builder missing in GLYCAM_06j-1.prep
David Thieker
Wed, 26 Jul 2017 10:26:11 -0400
Re: Residue on parm file from gag builder missing in GLYCAM_06j-1.prep
David Thieker
Wed, 26 Jul 2017 13:32:33 -0400
Re: VIna-carb
David Thieker
Tue, 19 Sep 2017 10:38:56 -0400
Re: VIna-carb
David Thieker
Tue, 19 Sep 2017 15:51:47 -0400
New Sender Davis Templeton
GEMS and GMML GitHub changes
Davis Templeton
Tue, 14 Nov 2017 11:33:47 -0500
New Sender Elvis Martis
GLYCAM parameters for Sialic Acid (to be loaded in leap)
Elvis Martis
Fri, 27 May 2016 03:20:31 -0400
Re: GLYCAM parameters for Sialic Acid (to be loaded in leap)
Elvis Martis
Fri, 27 May 2016 23:27:02 -0400
New Sender Fulbabu Sk
Minimization of the structure in Glycan
Fulbabu Sk
Fri, 2 Feb 2018 11:18:09 +0530
New Sender Gordon Richard Chalmers
Re: Four-letter codes (convenience or actual structures?)
Gordon Richard Chalmers
Tue, 6 Oct 2020 01:13:32 +0000
New Sender Gustaf Olsson
Combining GAFF/FF14SB with GLYCAM
Gustaf Olsson
Mon, 24 May 2021 08:25:57 +0000
Re: Combining GAFF/FF14SB with GLYCAM
Gustaf Olsson
Mon, 24 May 2021 09:32:52 +0000
Re: Combining GAFF/FF14SB with GLYCAM
Gustaf Olsson
Mon, 24 May 2021 10:46:08 +0000
Re: Combining GAFF/FF14SB with GLYCAM
Gustaf Olsson
Tue, 25 May 2021 10:04:51 +0000
Re: Combining GAFF/FF14SB with GLYCAM
Gustaf Olsson
Wed, 26 May 2021 07:28:33 +0000
Re: Combining GAFF/FF14SB with GLYCAM
Gustaf Olsson
Wed, 26 May 2021 12:37:39 +0000
Re: Combining GAFF/FF14SB with GLYCAM
Gustaf Olsson
Thu, 27 May 2021 10:09:26 +0000
New Sender Gustavo Avelar Molina
Include GLYCAM parameters for ligands on MDWeb
Gustavo Avelar Molina
Mon, 31 Oct 2016 06:28:46 -0400
Re: Include GLYCAM parameters for ligands on MDWeb
Gustavo Avelar Molina
Mon, 31 Oct 2016 12:15:01 +0000
Re: Include GLYCAM parameters for ligands on MDWeb
Gustavo Avelar Molina
Sun, 6 Nov 2016 14:10:08 +0000
New Sender Hallel Freedman
glycoprotein builder
Hallel Freedman
Thu, 30 Mar 2017 15:43:16 -0600
Re: glycoprotein builder
Hallel Freedman
Thu, 30 Mar 2017 17:49:56 -0600
Re: glycoprotein builder
Hallel Freedman
Thu, 30 Mar 2017 18:44:17 -0600
Re: glycoprotein builder
Hallel Freedman
Mon, 3 Apr 2017 11:05:18 -0600
Re: glycoprotein builder
Hallel Freedman
Tue, 4 Apr 2017 14:14:54 -0600
Re: glycoprotein builder
Hallel Freedman
Tue, 4 Apr 2017 16:07:20 -0600
Re: glycoprotein builder
Hallel Freedman
Tue, 4 Apr 2017 16:12:30 -0600
New Sender Ida seb
Gromacs parameters
Ida seb
Tue, 27 Oct 2015 16:56:24 -0400
New Sender J. Martinez
[AMBER] Combining GAFF and GLYCAM force fields to describe a non-natural sugar
J. Martinez
Thu, 29 Nov 2018 04:55:59 -0500
New Sender Javier Lopez
Heparan sulfate problem
Javier Lopez
Mon, 22 Oct 2018 04:33:22 -0400
Problem to build
Javier Lopez
Mon, 22 Oct 2018 04:38:16 -0400
New Sender Jerome de Ruyck
Stand alone versions
Jerome de Ruyck
Fri, 14 Sep 2018 18:16:23 +0200
New Sender Jeyaram R A
Re: Error in EOF
Jeyaram R A
Wed, 10 May 2017 12:29:21 +0000
Re: Error in EOF
Jeyaram R A
Fri, 23 Jun 2017 11:53:30 +0000
New Sender Jodi Ann Hadden
Re: Error in EOF
Jodi Ann Hadden
Tue, 9 May 2017 12:14:18 -0500
Re: Error in EOF
Jodi Ann Hadden
Wed, 10 May 2017 12:15:56 -0500
Re: Error in EOF
Jodi Ann Hadden
Wed, 10 May 2017 14:41:29 -0500
Re: Error in EOF
Jodi Ann Hadden
Wed, 10 May 2017 17:46:03 -0500
New Sender Jodi Hadden
Re: Gromacs parameters
Jodi Hadden
Fri, 30 Oct 2015 15:51:29 -0400
New Sender Jordi Bujons
Re: Glycans not recongnized in tleap
Jordi Bujons
Wed, 19 Apr 2023 12:37:26 +0200
Re: Glycans not recongnized in tleap
Jordi Bujons
Wed, 19 Apr 2023 13:45:55 +0200
Re: Glycans not recongnized in tleap
Jordi Bujons
Wed, 19 Apr 2023 17:43:33 +0200
New Sender Kanin Wichapong
total charge is not 0
Kanin Wichapong
Tue, 24 Apr 2018 13:17:49 -0400
Re: total charge is not 0
Kanin Wichapong
Wed, 25 Apr 2018 08:23:54 -0400
New Sender Kit Sang Chu
Terminal recognition on Glycam server
Kit Sang Chu
Sat, 3 Nov 2018 22:15:47 -0700
Re: Terminal recognition on Glycam server
Kit Sang Chu
Mon, 5 Nov 2018 15:25:49 -0800
New Sender Lachele Foley
A brand new users list!
Lachele Foley
Thu, 14 May 2015 18:41:40 -0400
Re: ADD PHOSPHATE DERIVATIVE
Lachele Foley
Tue, 12 Jun 2018 10:31:49 -0400
Re: ADD PHOSPHATE DERIVATIVE
Lachele Foley
Wed, 13 Jun 2018 09:23:53 -0400
Re: ADD PHOSPHATE DERIVATIVE
Lachele Foley
Tue, 4 Sep 2018 09:14:33 -0400
Re: Amber compactible heparin parameters
Lachele Foley
Thu, 19 Nov 2015 19:40:04 -0500
Re: Amber compactible heparin parameters
Lachele Foley
Sun, 22 Nov 2015 20:39:25 -0500
Re: Amber compactible heparin parameters
Lachele Foley
Thu, 3 Dec 2015 18:10:00 -0500
Re: Amber tleap: Fatal error "Atom does not have file type" -reg
Lachele Foley
Fri, 23 Aug 2019 11:49:07 -0400
Re: Amber tleap: Fatal error "Atom does not have file type" -reg
Lachele Foley
Tue, 11 Feb 2020 11:45:57 -0500
Re: building a branched Araf structure
Lachele Foley
Fri, 23 Sep 2016 22:05:35 -0400
Re: Carboxymethyl residue
Lachele Foley
Fri, 13 Nov 2020 04:26:31 -0500
Re: charges for neuraminic acid
Lachele Foley
Thu, 9 Jun 2016 20:15:57 -0400
Re: Comparing self-derived GLYCAM charge parameters
Lachele Foley
Tue, 24 Jul 2018 10:33:34 -0400
Re: Comparing self-derived GLYCAM charge parameters
Lachele Foley
Fri, 10 Aug 2018 08:41:58 -0400
Re: Error in EOF
Lachele Foley
Mon, 8 May 2017 08:37:36 -0400
Re: Error in EOF
Lachele Foley
Wed, 10 May 2017 17:04:45 -0400
Re: Extension of Glycam to lipids
Lachele Foley
Tue, 21 Mar 2017 10:32:05 -0400
Re: Four-letter codes (convenience or actual structures?)
Lachele Foley
Tue, 6 Oct 2020 06:33:58 -0400
Re: GlcNH2
Lachele Foley
Fri, 3 Mar 2017 19:43:10 -0500
Re: GlcNH2
Lachele Foley
Mon, 6 Mar 2017 19:57:17 -0500
Re: GLYCAM compatibility with AMBER force fields
Lachele Foley
Wed, 21 Oct 2020 09:57:59 -0400
Re: glycam naming page on website -> Re: 4uA1 & 0uA1 (what's the 1?)
Lachele Foley
Wed, 20 Dec 2017 10:19:24 -0500
glycam.org will be down intermittently this weekend
Lachele Foley
Fri, 22 Sep 2017 10:28:30 -0400
Re: glycoprotein builder
Lachele Foley
Thu, 30 Mar 2017 19:45:08 -0400
Re: glycoprotein builder
Lachele Foley
Thu, 30 Mar 2017 20:37:10 -0400
Re: glycoprotein builder
Lachele Foley
Mon, 3 Apr 2017 09:05:53 -0400
Re: glycoprotein builder
Lachele Foley
Mon, 3 Apr 2017 09:11:49 -0400
Re: glycoprotein builder
Lachele Foley
Mon, 3 Apr 2017 22:58:53 -0400
Re: glycoprotein builder
Lachele Foley
Wed, 5 Apr 2017 00:09:30 -0400
Re: GMML Selection
Lachele Foley
Fri, 22 Sep 2017 11:46:42 -0400
Re: Gromacs Glycam tleap issue
Lachele Foley
Tue, 13 Nov 2018 08:55:03 -0500
Re: Heparan sulfate problem
Lachele Foley
Thu, 25 Oct 2018 11:34:42 -0400
Mailing list issues
Lachele Foley
Tue, 9 Mar 2021 11:25:48 -0500
Maintenance May 28, 2020 6-10 AM
Lachele Foley
Sat, 23 May 2020 22:21:54 -0400
Maintenance Saturday night, May 16
Lachele Foley
Fri, 15 May 2020 22:30:30 -0400
Re: Maintenance Saturday night, May 16
Lachele Foley
Tue, 19 May 2020 16:17:34 -0400
OT: Sysadmin Job
Lachele Foley
Thu, 16 Jul 2020 19:40:32 -0400
Re: Phosphate parameters
Lachele Foley
Wed, 23 May 2018 11:31:10 -0400
Re: Problem to build
Lachele Foley
Thu, 25 Oct 2018 11:34:11 -0400
Re: Problem to build
Lachele Foley
Thu, 25 Oct 2018 11:35:07 -0400
Re: problems with SO3 derivation
Lachele Foley
Mon, 13 Jun 2016 10:57:46 -0400
Re: Reg: Protonated Glucosamine residues
Lachele Foley
Fri, 27 Mar 2020 01:49:23 -0400
Re: Regarding Glycoprotein builder
Lachele Foley
Mon, 30 Oct 2023 03:09:23 -0400
Re: Regarding Glycoprotein builder
Lachele Foley
Mon, 30 Oct 2023 09:50:15 -0400
Re: Regarding Glycoprotein builder
Lachele Foley
Mon, 30 Oct 2023 10:08:50 -0400
Re: Regarding Glycoprotein builder
Lachele Foley
Tue, 31 Oct 2023 16:07:29 -0400
Re: SO3 group bond type for GLYCAM in LAMMPS - reg.
Lachele Foley
Thu, 13 Jul 2017 15:22:54 -0400
Re: SO3 group bond type for GLYCAM in LAMMPS - reg.
Lachele Foley
Fri, 14 Jul 2017 01:59:12 -0400
Re: Stand alone versions
Lachele Foley
Fri, 14 Sep 2018 22:29:25 -0400
Re: sugar derivatives parametrization
Lachele Foley
Thu, 18 Oct 2018 22:59:12 -0400
Re: sulphated glucose tetrasaccharide
Lachele Foley
Thu, 7 Dec 2017 02:44:36 -0500
Re: sulphated glucose tetrasaccharide
Lachele Foley
Thu, 7 Dec 2017 02:55:54 -0500
Re: Terminal recognition on Glycam server
Lachele Foley
Mon, 5 Nov 2018 07:52:04 -0500
Re: Terminal recognition on Glycam server
Lachele Foley
Tue, 6 Nov 2018 01:02:19 -0500
Re: TIP3P water model - lammps data file doesn't include angle information.
Lachele Foley
Fri, 14 Jul 2017 02:00:01 -0400
Re: weighing factor for 1-2,1-3,1-4 interactions - reg. (LAMMPS)
Lachele Foley
Thu, 27 Jul 2017 08:31:54 -0400
Re: weighing factor for 1-2,1-3,1-4 interactions - reg. (LAMMPS)
Lachele Foley
Thu, 27 Jul 2017 09:47:30 -0400
Re: weighing factor for 1-2,1-3,1-4 interactions - reg. (LAMMPS)
Lachele Foley
Fri, 28 Jul 2017 01:56:19 -0400
Re: [AMBER] tleap error in reading structure generated from GLYCAM web
Lachele Foley
Tue, 14 May 2019 00:30:16 -0400
New Sender Lara rajam
Reg: Protonated Glucosamine residues
Lara rajam
Tue, 24 Mar 2020 10:36:28 -0400
Re: Reg: Protonated Glucosamine residues
Lara rajam
Fri, 27 Mar 2020 18:28:21 -0400
Re: Reg: Protonated Glucosamine residues
Lara rajam
Mon, 30 Mar 2020 17:38:55 -0400
Re: Reg: Protonated Glucosamine residues
Lara rajam
Tue, 31 Mar 2020 06:54:20 -0400
Re: Reg: Protonated Glucosamine residues
Lara rajam
Wed, 1 Apr 2020 13:10:39 -0400
New Sender Laura Morris
4uA1 & 0uA1 (what's the 1?)
Laura Morris
Tue, 19 Dec 2017 11:48:46 -0500
Four-letter codes (convenience or actual structures?)
Laura Morris
Mon, 5 Oct 2020 16:59:15 +0000
glycam naming page on website -> Re: 4uA1 & 0uA1 (what's the 1?)
Laura Morris
Wed, 20 Dec 2017 09:47:15 -0500
Re: glycam naming page on website -> Re: 4uA1 & 0uA1 (what's the 1?)
Laura Morris
Wed, 20 Dec 2017 11:47:29 -0500
glycam with TIP5P
Laura Morris
Fri, 17 Sep 2021 16:29:19 +0000
Re: glycam with TIP5P
Laura Morris
Fri, 17 Sep 2021 17:46:27 +0000
vina-carb (error in opening canonicals.txt)
Laura Morris
Sun, 10 Jun 2018 21:30:56 -0400
Re: vina-carb (error in opening canonicals.txt)
Laura Morris
Mon, 11 Jun 2018 09:10:12 -0400
New Sender Lee-Ping Wang
Re: charges for neuraminic acid
Lee-Ping Wang
Wed, 8 Jun 2016 09:58:53 -0700
Comparing self-derived GLYCAM charge parameters
Lee-Ping Wang
Mon, 23 Jul 2018 15:29:17 -0700
Re: Comparing self-derived GLYCAM charge parameters
Lee-Ping Wang
Mon, 23 Jul 2018 20:24:15 -0700
Re: Comparing self-derived GLYCAM charge parameters
Lee-Ping Wang
Mon, 23 Jul 2018 21:47:58 -0700
Re: Comparing self-derived GLYCAM charge parameters
Lee-Ping Wang
Fri, 27 Jul 2018 09:11:15 +0800
Re: Comparing self-derived GLYCAM charge parameters
Lee-Ping Wang
Wed, 8 Aug 2018 20:42:16 -0700
New Sender Mahrukh Imtiaz
Request for help regarding Glycam and xleap
Mahrukh Imtiaz
Thu, 6 Oct 2016 06:36:03 +0000
Re: Request for help regarding Glycam and xleap
Mahrukh Imtiaz
Thu, 6 Oct 2016 10:07:16 +0000
Re: Request for help regarding Glycam and xleap
Mahrukh Imtiaz
Thu, 6 Oct 2016 10:25:48 +0000
New Sender Manuel Maestre Reyna
Re: charges for neuraminic acid
Manuel Maestre Reyna
Thu, 9 Jun 2016 20:08:46 -0400
parameters for neuraminic acid
Manuel Maestre Reyna
Wed, 8 Jun 2016 04:13:44 -0400
Re: parameters for neuraminic acid
Manuel Maestre Reyna
Thu, 9 Jun 2016 20:10:54 -0400
Re: problems with SO3 derivation
Manuel Maestre Reyna
Mon, 13 Jun 2016 19:12:41 -0400
Re: problems with SO3 derivation
Manuel Maestre Reyna
Tue, 14 Jun 2016 00:53:04 -0400
New Sender Matthew Guberman-Pfeffer
Help with Setting up Simulation for Glycolipid
Matthew Guberman-Pfeffer
Wed, 17 Feb 2021 16:25:03 -0500
Re: Help with Setting up Simulation for Glycolipid
Matthew Guberman-Pfeffer
Thu, 18 Feb 2021 09:19:58 -0500
Re: Help with Setting up Simulation for Glycolipid
Matthew Guberman-Pfeffer
Thu, 18 Feb 2021 11:12:58 -0500
New Sender mmaestre
charges for neuraminic acid
mmaestre
Wed, 8 Jun 2016 16:07:24 +0800
problems with SO3 derivation
mmaestre
Mon, 13 Jun 2016 16:01:09 +0800
New Sender Mohit Chhabra
ADD PHOSPHATE DERIVATIVE
Mohit Chhabra
Tue, 12 Jun 2018 14:14:44 +0000
Re: ADD PHOSPHATE DERIVATIVE
Mohit Chhabra
Mon, 3 Sep 2018 07:45:05 +0000
New Sender monia kam
Glycam06 for hyaluronic Acid
monia kam
Wed, 20 Mar 2019 13:32:15 +0100
Re: Glycam06 for hyaluronic Acid
monia kam
Wed, 20 Mar 2019 14:10:56 +0100
Re: Glycam06 for hyaluronic Acid
monia kam
Thu, 21 Mar 2019 09:28:37 +0100
Non terminal β-D-Glucosamine
Monia Kam
Fri, 3 May 2019 12:50:17 -0400
Non-terminal protonated version of Glucuronic Acid
Monia Kam
Tue, 26 Mar 2019 07:24:30 -0400
Re: Non-terminal protonated version of Glucuronic Acid
monia kam
Tue, 26 Mar 2019 20:19:09 +0100
Re: Non-terminal protonated version of Glucuronic Acid
monia kam
Tue, 2 Apr 2019 13:46:42 +0200
Re: Non-terminal protonated version of Glucuronic Acid
monia kam
Tue, 2 Apr 2019 14:42:41 +0200
Re: Non-terminal protonated version of Glucuronic Acid
monia kam
Tue, 2 Apr 2019 15:49:43 +0200
Re: Non-terminal protonated version of Glucuronic Acid
monia kam
Sat, 13 Apr 2019 19:48:52 +0200
New Sender Nagar, Hemant
Heparin sulfate YuA residue error in tleap
Nagar, Hemant
Sat, 22 Apr 2023 01:29:08 +0000
Re: [External] Re: Heparin sulfate YuA residue error in tleap
Nagar, Hemant
Thu, 27 Apr 2023 19:35:34 +0000
New Sender Natesan Mani
Regarding Glycoprotein builder
Natesan Mani
Fri, 27 Oct 2023 15:32:02 +0000
Re: Regarding Glycoprotein builder
Natesan Mani
Mon, 30 Oct 2023 13:48:13 +0000
Re: Regarding Glycoprotein builder
Natesan Mani
Mon, 30 Oct 2023 13:54:36 +0000
Re: Regarding Glycoprotein builder
Natesan Mani
Tue, 31 Oct 2023 18:43:46 +0000
Re: Regarding Glycoprotein builder
Natesan Mani
Tue, 31 Oct 2023 20:30:50 +0000
New Sender Naveen Kumar Vasudevan
non standard chemical derivative to glycan residue - partial charges
Naveen Kumar Vasudevan
Mon, 14 Aug 2017 14:40:54 -0400
Re: non standard chemical derivative to glycan residue - partial charges
Naveen Kumar Vasudevan
Thu, 17 Aug 2017 09:09:10 -0400
SO3 group bond type for GLYCAM in LAMMPS - reg.
Naveen Kumar Vasudevan
Wed, 12 Jul 2017 16:32:31 -0400
SO3 group bond type for GLYCAM in LAMMPS - reg.
Naveen Kumar Vasudevan
Wed, 12 Jul 2017 17:14:29 -0400
Re: SO3 group bond type for GLYCAM in LAMMPS - reg.
Naveen Kumar Vasudevan
Thu, 13 Jul 2017 15:34:43 -0400
Re: SO3 group bond type for GLYCAM in LAMMPS - reg.
Naveen Kumar Vasudevan
Fri, 14 Jul 2017 08:48:20 -0400
Re: sulphated glucose tetrasaccharide
Naveen Kumar Vasudevan
Wed, 6 Dec 2017 23:50:00 -0500
TIP3P water model - lammps data file doesn't include angle information.
Naveen Kumar Vasudevan
Thu, 13 Jul 2017 23:02:31 -0400
Re: TIP3P water model - lammps data file doesn't include angle information.
Naveen Kumar Vasudevan
Fri, 14 Jul 2017 00:30:05 -0400
Re: TIP3P water model - lammps data file doesn't include angleinformation.
Naveen Kumar Vasudevan
Fri, 14 Jul 2017 08:45:32 -0400
weighing factor for 1-2,1-3,1-4 interactions - reg. (LAMMPS)
Naveen Kumar Vasudevan
Wed, 26 Jul 2017 13:52:42 -0400
Re: weighing factor for 1-2,1-3,1-4 interactions - reg. (LAMMPS)
Naveen Kumar Vasudevan
Thu, 27 Jul 2017 23:13:25 -0400
Re: weighing factor for 1-2,1-3,1-4 interactions - reg. (LAMMPS)
Naveen Kumar Vasudevan
Fri, 28 Jul 2017 01:58:45 -0400
New Sender Neha Gandhi
GlcNH2
Neha Gandhi
Fri, 3 Mar 2017 01:12:31 -0500
Heparin in AMBER
Neha Gandhi
Sun, 23 Apr 2017 23:22:16 -0400
VIna-carb
Neha Gandhi
Tue, 19 Sep 2017 02:16:46 -0400
New Sender Neha S. Gandhi
β-(1->4)-linked D-mannuronic acid (M)
Neha S. Gandhi
Fri, 15 Dec 2017 01:37:51 +0000
Re: β-(1->4)-linked D-mannuronic acid (M)
Neha S. Gandhi
Fri, 15 Dec 2017 02:37:10 +0000
Re: ADD PHOSPHATE DERIVATIVE
Neha S. Gandhi
Wed, 13 Jun 2018 00:41:36 +0000
deriving parameters for hybrid molecules
Neha S. Gandhi
Fri, 6 Apr 2018 00:22:11 +0000
Re: GlcNH2
Neha S. Gandhi
Sun, 5 Mar 2017 23:43:11 +0000
Re: GlcNH2
Neha S. Gandhi
Wed, 15 Mar 2017 00:14:00 +0000
GLYCAM compatibility with AMBER force fields
Neha S. Gandhi
Tue, 20 Oct 2020 23:43:35 +0000
Re: Heparin in AMBER
Neha S. Gandhi
Thu, 27 Apr 2017 06:27:23 +0000
new version- pdb files
Neha S. Gandhi
Wed, 9 Mar 2022 09:18:10 +0000
Re: new version- pdb files
Neha S. Gandhi
Wed, 9 Mar 2022 09:33:01 +0000
Re: new version- pdb files
Neha S. Gandhi
Wed, 9 Mar 2022 09:37:53 +0000
Parameters for 3,6-anhydro-L-galactopyranose
Neha S. Gandhi
Wed, 14 Jun 2017 04:12:38 +0000
Phosphate parameters
Neha S. Gandhi
Tue, 22 May 2018 01:01:52 +0000
Reading GAG pdb files and converting to amber
Neha S. Gandhi
Mon, 18 Jul 2022 00:00:50 +0000
Re: Reading GAG pdb files and converting to amber
Neha S. Gandhi
Tue, 19 Jul 2022 00:37:59 +0000
sulphated glucose tetrasaccharide
Neha S. Gandhi
Thu, 7 Dec 2017 04:42:07 +0000


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