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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zeinab masoomi (1 Message)
Yohanna White (1 Message)
Xiaocong Wang (27 Messages)
Wei Lan (3 Messages)
Trevor Matthew Adams (5 Messages)
Tarsis (2 Messages)
Tarsis Gesteira (8 Messages)
T C de Leeuw (1 Message)
Sven Hackbusch (4 Messages)
Sushil Mishra (6 Messages)
SUBSCRIBE GLYCAM-L Anu (1 Message)
Senal Dinuka (3 Messages)
Sandra Moore (1 Message)
Samuel Walpole (PHA) (3 Messages)
Samuel Holmes (14 Messages)
Robin Singh (5 Messages)
Robert Woods (5 Messages)
Rob Woods (10 Messages)
R. A. Jeyaram (1 Message)
R A Jeyaram 16PHD0482 (2 Messages)
Pavlína Slavníková (4 Messages)
Pallavi Banerjee (2 Messages)
Oliver Grant (83 Messages)
Oliver C Grant (5 Messages)
Neha S. Gandhi (20 Messages)
Neha Gandhi (3 Messages)
Naveen Kumar Vasudevan (13 Messages)
Natesan Mani (5 Messages)
Nagar, Hemant (2 Messages)
monia kam (10 Messages)

Subject

From Sorted by Sender, Reverse Alphabetically

Date
New Sender zeinab masoomi
errors in bond OH-Cg
zeinab masoomi
Sun, 21 Nov 2021 17:32:18 +0330
New Sender Yohanna White
Re: GLYCAM parameters for 1-Acetylated sugars
Yohanna White
Fri, 16 Sep 2016 10:17:45 -0400
New Sender Xiaocong Wang
Re: Xylose Ring Conformation Problem
Xiaocong Wang
Wed, 11 May 2016 13:26:47 +0000
Re: Xylose Ring Conformation Problem
Xiaocong Wang
Wed, 11 May 2016 09:32:20 +0000
Re: sulphated glucose tetrasaccharide
Xiaocong Wang
Thu, 7 Dec 2017 08:10:45 +0000
Re: SO3 group bond type for GLYCAM in LAMMPS - reg.
Xiaocong Wang
Fri, 14 Jul 2017 05:22:23 +0000
Re: Simulating cyanogenic glucoside
Xiaocong Wang
Thu, 25 Oct 2018 15:55:50 +0000
Re: problems with SO3 derivation
Xiaocong Wang
Mon, 13 Jun 2016 08:18:19 +0000
Re: Parameters for 3,6-anhydro-L-galactopyranose
Xiaocong Wang
Fri, 16 Jun 2017 14:13:20 +0000
Re: non standard chemical derivative to glycan residue - partial charges
Xiaocong Wang
Thu, 17 Aug 2017 13:01:00 +0000
Re: MeDMan MD-simulation - help request
Xiaocong Wang
Tue, 3 Mar 2020 02:38:59 +0000
Re: how to generate paramaters for GlcNH3 oligodsaccharide
Xiaocong Wang
Tue, 12 Dec 2017 05:55:14 +0000
Re: how to generate paramaters for GlcNH3 oligodsaccharide
Xiaocong Wang
Tue, 12 Dec 2017 05:54:05 +0000
Re: how to generate paramaters for GlcNH3 oligodsaccharide
Xiaocong Wang
Tue, 12 Dec 2017 04:32:53 +0000
Re: how to generate paramaters for GlcNH3 oligodsaccharide
Xiaocong Wang
Mon, 11 Dec 2017 13:27:30 +0000
Re: High-throughput analysis of oligosaccharides using cpptraj
Xiaocong Wang
Fri, 2 Feb 2018 01:50:20 +0000
Re: Heparin in AMBER
Xiaocong Wang
Tue, 25 Apr 2017 02:38:14 +0000
Re: GLYCAM parameters for Mannuronic acid !
Xiaocong Wang
Mon, 1 Aug 2016 12:52:24 +0000
Re: GLYCAM parameters for 1-Acetylated sugars
Xiaocong Wang
Sun, 18 Sep 2016 15:50:26 +0000
Re: glycam naming page on website -> Re: 4uA1 & 0uA1 (what's the 1?)
Xiaocong Wang
Wed, 20 Dec 2017 15:03:17 +0000
Re: Four-letter codes (convenience or actual structures?)
Xiaocong Wang
Tue, 6 Oct 2020 00:36:51 +0000
Re: Comparing self-derived GLYCAM charge parameters
Xiaocong Wang
Tue, 24 Jul 2018 03:33:47 +0000
Re: Comparing self-derived GLYCAM charge parameters
Xiaocong Wang
Tue, 24 Jul 2018 01:57:06 +0000
Re: Charge derivation in GLYCAM
Xiaocong Wang
Tue, 5 Jul 2016 14:33:40 +0000
Re: Beta 1-6 linkage for GlcNH2
Xiaocong Wang
Tue, 25 Sep 2018 06:08:18 +0000
Re: Advice on using GLYCAM parameters
Xiaocong Wang
Fri, 20 Jul 2018 00:51:00 +0000
Re: ADD PHOSPHATE DERIVATIVE
Xiaocong Wang
Wed, 13 Jun 2018 01:48:30 +0000
Re: About using GLYCAM and GAFF for a molecule
Xiaocong Wang
Thu, 15 Dec 2016 13:00:47 +0000
Re: β-(1->4)-linked D-mannuronic acid (M)
Xiaocong Wang
Fri, 15 Dec 2017 02:12:55 +0000
New Sender Wei Lan
Re: The total glycoprotein charge is not an integer
Wei Lan
Thu, 7 Jul 2022 01:19:26 -0400
Re: The total glycoprotein charge is not an integer
Wei Lan
Wed, 6 Jul 2022 08:53:41 -0400
The total glycoprotein charge is not an integer
Wei Lan
Mon, 4 Jul 2022 22:57:28 -0400
New Sender Trevor Matthew Adams
Re: tleap error with N-glycan
Trevor Matthew Adams
Thu, 10 Nov 2022 22:00:42 +0000
Re: tleap error with N-glycan
Trevor Matthew Adams
Thu, 10 Nov 2022 21:30:40 +0000
tleap error with N-glycan
Trevor Matthew Adams
Thu, 10 Nov 2022 21:27:37 +0000
Re: Glycoprotein Builder - PDBFileNotFoundException
Trevor Matthew Adams
Sun, 10 Jan 2021 22:54:35 +0000
Glycoprotein Builder - PDBFileNotFoundException
Trevor Matthew Adams
Fri, 8 Jan 2021 23:50:17 +0000
New Sender Tarsis
Re: reading Idu2S generated by Glycam
Tarsis
Sun, 1 Apr 2018 19:17:41 -0400
Re: how to generate paramaters for GlcNH3 oligodsaccharide
Tarsis
Mon, 11 Dec 2017 09:46:32 -0600
New Sender Tarsis Gesteira
reading Idu2S generated by Glycam
Tarsis Gesteira
Sat, 31 Mar 2018 17:44:37 -0400
Message: Atom named S1 from SO3 did not match!
Tarsis Gesteira
Sat, 15 Dec 2018 01:26:22 -0500
Re: how to generate paramaters for GlcNH3 oligodsaccharide
Tarsis Gesteira
Tue, 12 Dec 2017 01:00:38 -0500
Re: how to generate paramaters for GlcNH3 oligodsaccharide
Tarsis Gesteira
Tue, 12 Dec 2017 00:43:46 -0500
Re: how to generate paramaters for GlcNH3 oligodsaccharide
Tarsis Gesteira
Mon, 11 Dec 2017 23:29:17 -0500
Re: how to generate paramaters for GlcNH3 oligodsaccharide
Tarsis Gesteira
Mon, 11 Dec 2017 09:52:48 -0500
how to generate paramaters for GlcNH3 oligodsaccharide
Tarsis Gesteira
Sun, 10 Dec 2017 10:23:42 -0500
High-throughput analysis of oligosaccharides using cpptraj
Tarsis Gesteira
Thu, 1 Feb 2018 17:43:22 -0500
New Sender T C de Leeuw
How are legacy.glycam.org energy values calculated?
T C de Leeuw
Mon, 10 Jun 2024 21:58:12 +0200
New Sender Sven Hackbusch
Re: GLYCAM parameters for 1-Acetylated sugars
Sven Hackbusch
Thu, 29 Sep 2016 09:59:21 -0700
Re: GLYCAM parameters for 1-Acetylated sugars
Sven Hackbusch
Wed, 21 Sep 2016 09:28:38 -0700
Re: GLYCAM parameters for 1-Acetylated sugars
Sven Hackbusch
Fri, 16 Sep 2016 12:09:18 -0700
GLYCAM parameters for 1-Acetylated sugars
Sven Hackbusch
Tue, 13 Sep 2016 18:30:48 -0700
New Sender Sushil Mishra
Re: tleap error with N-glycan
Sushil Mishra
Thu, 10 Nov 2022 15:35:25 -0600
Re: Heparin in AMBER
Sushil Mishra
Tue, 25 Apr 2017 10:31:04 +0900
Re: Glycans not recongnized in tleap
Sushil Mishra
Wed, 19 Apr 2023 10:59:05 -0500
Re: glycam Build Via Text
Sushil Mishra
Wed, 20 Dec 2023 09:21:13 -0600
Re: About using GLYCAM and GAFF for a molecule
Sushil Mishra
Fri, 16 Dec 2016 14:03:25 +0900
About using GLYCAM and GAFF for a molecule
Sushil Mishra
Sat, 10 Dec 2016 17:04:46 +0900
New Sender SUBSCRIBE GLYCAM-L Anu
Amber compactible heparin parameters
SUBSCRIBE GLYCAM-L Anu
Mon, 16 Nov 2015 10:35:40 -0500
New Sender Senal Dinuka
Simulating cyanogenic glucoside
Senal Dinuka
Fri, 19 Oct 2018 00:43:57 -0400
Simulating a sugar transition state with GLYCAM and GAFF
senal dinuka
Thu, 27 Dec 2018 11:57:27 +0530
Advice on using GLYCAM parameters
Senal Dinuka
Thu, 19 Jul 2018 10:54:53 -0400
New Sender Sandra Moore
inositol molecule parameters
Sandra Moore
Wed, 9 Sep 2020 00:41:41 +0000
New Sender Samuel Walpole (PHA)
Re: Xylose Ring Conformation Problem
Samuel Walpole (PHA)
Wed, 11 May 2016 14:19:05 +0000
Re: Xylose Ring Conformation Problem
Samuel Walpole (PHA)
Wed, 11 May 2016 11:53:25 +0000
Xylose Ring Conformation Problem
Samuel Walpole (PHA)
Wed, 11 May 2016 08:10:11 +0000
New Sender Samuel Holmes
Re: UYS not recognized in tLeap?
Samuel Holmes
Wed, 8 Jun 2022 10:37:40 -0400
Re: UYS not recognized in tLeap?
Samuel Holmes
Tue, 7 Jun 2022 10:14:07 -0400
Re: UYS not recognized in tLeap?
Samuel Holmes
Wed, 1 Jun 2022 14:41:59 -0400
Re: UYS not recognized in tLeap?
Samuel Holmes
Wed, 1 Jun 2022 13:28:47 -0400
UYS not recognized in tLeap?
Samuel Holmes
Wed, 1 Jun 2022 11:38:38 -0400
Re: Prep files for different IdoA puckers?
Samuel Holmes
Sun, 24 Jul 2022 11:51:34 -0400
Re: Prep files for different IdoA puckers?
Samuel Holmes
Sun, 24 Jul 2022 11:41:18 -0400
Re: Prep files for different IdoA puckers?
Samuel Holmes
Sun, 24 Jul 2022 11:14:30 -0400
Prep files for different IdoA puckers?
Samuel Holmes
Thu, 21 Jul 2022 11:35:56 -0400
Re: Error building UA-4,5-->GlcNS6S
Samuel Holmes
Thu, 10 Nov 2022 12:59:28 -0500
Re: Error building UA-4,5-->GlcNS6S
Samuel Holmes
Thu, 10 Nov 2022 12:57:56 -0500
Re: Error building UA-4,5-->GlcNS6S
Samuel Holmes
Tue, 25 Oct 2022 09:09:10 -0400
Re: Error building UA-4,5-->GlcNS6S
Samuel Holmes
Mon, 24 Oct 2022 15:39:01 -0400
Error building UA-4,5-->GlcNS6S
Samuel Holmes
Mon, 24 Oct 2022 10:32:09 -0400
New Sender Robin Singh
Re: Glycans not recongnized in tleap
Robin Singh
Thu, 20 Apr 2023 05:16:22 -0400
Re: Glycans not recongnized in tleap
Robin Singh
Thu, 20 Apr 2023 05:10:40 -0400
Re: Glycans not recongnized in tleap
Robin Singh
Wed, 19 Apr 2023 10:51:13 -0400
Re: Glycans not recongnized in tleap
Robin Singh
Wed, 19 Apr 2023 07:22:39 -0400
Glycans not recongnized in tleap
Robin Singh
Wed, 19 Apr 2023 05:19:25 -0400
New Sender Robert Woods
Re: inositol molecule parameters
Robert Woods
Wed, 9 Sep 2020 07:19:14 -0400
Re: glycam with TIP5P
Robert Woods
Fri, 17 Sep 2021 13:27:06 -0400
Re: GLYCAM compatibility with AMBER force fields
Robert Woods
Tue, 20 Oct 2020 19:52:45 -0400
Re: Four-letter codes (convenience or actual structures?)
Robert Woods
Tue, 6 Oct 2020 06:30:05 -0400
Re: charges for neuraminic acid
Robert Woods
Wed, 8 Jun 2016 14:31:41 -0400
New Sender Rob Woods
Re: Xylose Ring Conformation Problem
Rob Woods
Wed, 11 May 2016 08:04:18 -0400
Re: total charge is not 0
Rob Woods
Tue, 24 Apr 2018 13:58:37 -0400
Re: Simulating a sugar transition state with GLYCAM and GAFF
Rob Woods
Thu, 27 Dec 2018 12:10:09 +0100
Re: problems with SO3 derivation
Rob Woods
Mon, 13 Jun 2016 19:50:07 -0400
Re: GLYCAM parameters for 1-Acetylated sugars
Rob Woods
Wed, 21 Sep 2016 13:07:03 -0400
Re: GLYCAM parameters for 1-Acetylated sugars
Rob Woods
Sun, 18 Sep 2016 18:43:11 -0400
Re: Glucuronic acid in GLYCAM06
Rob Woods
Fri, 26 Jun 2020 18:12:17 -0400
Re: Glucuronic acid in GLYCAM06
Rob Woods
Fri, 26 Jun 2020 17:37:35 -0400
Re: GlcNH2
Rob Woods
Tue, 14 Mar 2017 20:35:14 -0400
Re: Amber compactible heparin parameters
Rob Woods
Tue, 17 Nov 2015 08:47:55 -0500
New Sender R. A. Jeyaram
Error in EOF
R. A. Jeyaram
Mon, 8 May 2017 06:32:11 -0400
New Sender R A Jeyaram 16PHD0482
Re: Amber tleap: Fatal error "Atom does not have file type" -reg
R A Jeyaram 16PHD0482
Fri, 23 Aug 2019 21:23:50 +0530
Amber tleap: Fatal error "Atom does not have file type" -reg
R A Jeyaram 16PHD0482
Wed, 26 Jun 2019 11:04:45 +0530
New Sender Pavlína Slavníková
Re: Protonated beta-D-glucuronic acid in AMBER
Pavlína Slavníková
Thu, 10 Mar 2022 16:05:01 -0500
Re: Protonated beta-D-glucuronic acid in AMBER
Pavlína Slavníková
Wed, 9 Mar 2022 15:43:00 -0500
Re: Protonated beta-D-glucuronic acid in AMBER
Pavlína Slavníková
Wed, 9 Mar 2022 05:26:12 -0500
Protonated beta-D-glucuronic acid in AMBER
Pavlína Slavníková
Tue, 22 Feb 2022 12:54:38 -0500
New Sender Pallavi Banerjee
Re: Extension of Glycam to lipids
Pallavi Banerjee
Tue, 21 Mar 2017 16:27:18 +0100
Extension of Glycam to lipids
Pallavi Banerjee
Sat, 18 Mar 2017 10:25:31 -0400
New Sender Oliver Grant
Re: [External] Re: Heparin sulfate YuA residue error in tleap
Oliver Grant
Fri, 28 Apr 2023 12:46:48 +0200
Re: [AMBER] tleap error in reading structure generated from GLYCAM web
Oliver Grant
Wed, 15 May 2019 10:02:47 +0200
Re: [AMBER] Combining GAFF and GLYCAM force fields to describe a non-natural sugar
Oliver Grant
Tue, 4 Dec 2018 10:10:13 +0100
Re: vina-carb (error in opening canonicals.txt)
Oliver Grant
Mon, 11 Jun 2018 12:39:44 +0200
Re: VIna-carb
Oliver Grant
Tue, 19 Sep 2017 11:03:09 +0200
Re: UYS not recognized in tLeap?
Oliver Grant
Wed, 8 Jun 2022 10:55:12 +0200
Re: UYS not recognized in tLeap?
Oliver Grant
Wed, 1 Jun 2022 20:31:15 +0200
Re: UYS not recognized in tLeap?
Oliver Grant
Wed, 1 Jun 2022 18:56:43 +0200
Re: total charge is not 0
Oliver Grant
Wed, 25 Apr 2018 13:26:10 +0100
Re: total charge is not 0
Oliver Grant
Tue, 24 Apr 2018 20:22:13 +0200
Re: TIP3P water model - lammps data file doesn't include angle information.
Oliver Grant
Fri, 14 Jul 2017 06:28:35 +0200
Re: The total glycoprotein charge is not an integer
Oliver Grant
Wed, 6 Jul 2022 18:40:27 +0200
Re: The total glycoprotein charge is not an integer
Oliver Grant
Wed, 6 Jul 2022 14:24:17 +0200
Re: Terminal recognition on Glycam server
Oliver Grant
Mon, 5 Nov 2018 14:15:39 +0100
Re: Technical difficulties with your website
Oliver Grant
Thu, 7 Dec 2023 13:23:40 +0100
Re: Technical difficulties with your website
Oliver Grant
Wed, 6 Dec 2023 17:31:17 +0100
Re: Request for help regarding Glycam and xleap
Oliver Grant
Thu, 6 Oct 2016 12:18:33 +0200
Re: Request for help regarding Glycam and xleap
Oliver Grant
Thu, 6 Oct 2016 09:22:15 +0200
Re: Regarding 3,6-anhydro-α-D-galactopyranose parameter
Oliver Grant
Fri, 5 Jan 2024 09:45:24 +0100
Re: reading Idu2S generated by Glycam
Oliver Grant
Sun, 1 Apr 2018 07:22:31 +0000
Re: Reading GAG pdb files and converting to amber
Oliver Grant
Mon, 18 Jul 2022 15:52:26 +0200
Re: Protonated beta-D-glucuronic acid in AMBER
Oliver Grant
Thu, 10 Mar 2022 22:30:20 +0100
Re: Protonated beta-D-glucuronic acid in AMBER
Oliver Grant
Thu, 10 Mar 2022 10:46:10 +0100
Re: Protonated beta-D-glucuronic acid in AMBER
Oliver Grant
Wed, 9 Mar 2022 13:33:12 +0100
Re: Protonated beta-D-glucuronic acid in AMBER
Oliver Grant
Wed, 9 Mar 2022 10:35:56 +0100
Re: Problems when using Glycoprotein builder
Oliver Grant
Wed, 6 Dec 2023 09:50:28 +0100
Re: Problems when using Glycoprotein builder
Oliver Grant
Fri, 1 Dec 2023 16:28:36 +0100
Re: Problems when using Glycoprotein builder
Oliver Grant
Fri, 1 Dec 2023 12:47:36 +0100
Re: Problems when using Glycoprotein builder
Oliver Grant
Thu, 30 Nov 2023 17:23:35 +0100
Re: Problems when using Glycoprotein builder
Oliver Grant
Thu, 30 Nov 2023 13:47:02 +0100
Re: Prep files for different IdoA puckers?
Oliver Grant
Fri, 29 Jul 2022 10:08:10 +0200
Re: Prep files for different IdoA puckers?
Oliver Grant
Fri, 22 Jul 2022 11:54:12 +0200
Re: Phosphate parameters
Oliver Grant
Tue, 22 May 2018 09:57:34 +0200
Re: Non-terminal protonated version of Glucuronic Acid
Oliver Grant
Tue, 2 Apr 2019 13:06:35 +0200
Re: Non terminal Protonated β-D-Glucosamine
Oliver Grant
Tue, 12 Mar 2019 14:01:49 +0100
Re: Non terminal β-D-Glucosamine
Oliver Grant
Fri, 3 May 2019 19:02:47 +0200
Re: new version- pdb files
Oliver Grant
Fri, 13 May 2022 10:04:44 +0200
Re: new version- pdb files
Oliver Grant
Wed, 9 Mar 2022 10:39:33 +0100
Re: new version- pdb files
Oliver Grant
Wed, 9 Mar 2022 10:28:12 +0100
Re: Minimization of the structure in Glycan
Oliver Grant
Fri, 2 Feb 2018 09:59:11 +0100
Re: Message: Atom named S1 from SO3 did not match!
Oliver Grant
Mon, 17 Dec 2018 13:32:18 +0100
Information on repeating units and build via URL on GLYCAM-Web
Oliver Grant
Tue, 2 Jan 2024 09:00:00 +0100
Re: Include GLYCAM parameters for ligands on MDWeb
Oliver Grant
Fri, 11 Nov 2016 20:24:20 +0100
Re: Include GLYCAM parameters for ligands on MDWeb
Oliver Grant
Mon, 31 Oct 2016 14:24:21 +0100
Re: Include GLYCAM parameters for ligands on MDWeb
Oliver Grant
Mon, 31 Oct 2016 11:47:21 +0100
Re: how to generate paramaters for GlcNH3 oligodsaccharide
Oliver Grant
Tue, 12 Dec 2017 10:37:36 +0100
Re: how to generate paramaters for GlcNH3 oligodsaccharide
Oliver Grant
Mon, 11 Dec 2017 16:00:28 +0100
Re: how to generate paramaters for GlcNH3 oligodsaccharide
Oliver Grant
Mon, 11 Dec 2017 12:03:23 +0100
Re: How are legacy.glycam.org energy values calculated?
Oliver Grant
Tue, 11 Jun 2024 20:26:55 +0200
Re: High-throughput analysis of oligosaccharides using cpptraj
Oliver Grant
Fri, 2 Feb 2018 10:09:55 +0100
Re: Heparan sulfate problem
Oliver Grant
Mon, 22 Oct 2018 10:52:53 +0200
Re: Help with Setting up Simulation for Glycolipid
Oliver Grant
Thu, 18 Feb 2021 17:07:21 +0100
Re: Help with Setting up Simulation for Glycolipid
Oliver Grant
Thu, 18 Feb 2021 10:49:39 +0100
Re: Gromacs parameters
Oliver Grant
Wed, 18 Nov 2015 14:00:56 +0100
Re: Gromacs Glycam tleap issue
Oliver Grant
Wed, 31 Oct 2018 14:57:27 +0100
Re: Gromacs Glycam tleap issue
Oliver Grant
Wed, 31 Oct 2018 14:52:25 +0100
GMML Selection
Oliver Grant
Thu, 21 Sep 2017 17:07:43 +0200
Re: Fw: Glycoprotein BuildRequest Finished
Oliver Grant
Fri, 24 Nov 2023 10:30:02 +0100
Re: Fw: Glycoprotein BuildRequest Finished
Oliver Grant
Wed, 22 Nov 2023 09:55:41 +0100
Re: Glycoprotein Builder - PDBFileNotFoundException
Oliver Grant
Mon, 11 Jan 2021 10:04:59 +0100
Re: Glycoprotein Builder - PDBFileNotFoundException
Oliver Grant
Sat, 9 Jan 2021 01:18:30 +0100
Re: Glycam06 for hyaluronic Acid
Oliver Grant
Wed, 20 Mar 2019 14:11:47 +0100
Re: GLYCAM parameters for Sialic Acid (to be loaded in leap)
Oliver Grant
Fri, 27 May 2016 10:07:17 +0200
Re: glycam Build Via Text
Oliver Grant
Wed, 20 Dec 2023 12:17:48 +0100
Re: Glucuronic acid in GLYCAM06
Oliver Grant
Sat, 27 Jun 2020 11:24:01 +0200
Re: Four-letter codes (convenience or actual structures?)
Oliver Grant
Tue, 6 Oct 2020 10:14:41 +0200
Re: Forcefield parameters to use in GROMACS
Oliver Grant
Mon, 22 Oct 2018 14:50:47 +0200
Re: errors in bond OH-Cg
Oliver Grant
Sun, 21 Nov 2021 18:57:28 +0100
Re: Error building UA-4,5-->GlcNS6S
Oliver Grant
Thu, 10 Nov 2022 19:01:40 +0100
Re: Error building UA-4,5-->GlcNS6S
Oliver Grant
Tue, 25 Oct 2022 09:07:25 +0200
Re: Error building UA-4,5-->GlcNS6S
Oliver Grant
Mon, 24 Oct 2022 19:17:03 +0200
Re: deriving parameters for hybrid molecules
Oliver Grant
Fri, 6 Apr 2018 11:07:40 +0200
Re: Combining GAFF/FF14SB with GLYCAM
Oliver Grant
Thu, 27 May 2021 10:05:52 +0200
Re: Combining GAFF/FF14SB with GLYCAM
Oliver Grant
Mon, 24 May 2021 12:11:50 +0200
Re: Combining GAFF/FF14SB with GLYCAM
Oliver Grant
Mon, 24 May 2021 11:07:05 +0200
Avoid adjusting charges after adding derivatives by using the off or mol2 files.
Oliver Grant
Fri, 5 Jan 2024 14:21:54 +0100
Re: Amber compactible heparin parameters
Oliver Grant
Wed, 18 Nov 2015 14:36:35 +0100
Re: Amber compactible heparin parameters
Oliver Grant
Wed, 18 Nov 2015 13:26:59 +0100
Re: Amber compactible heparin parameters
Oliver Grant
Tue, 17 Nov 2015 20:03:42 +0100
Re: Amber compactible heparin parameters
Oliver Grant
Tue, 17 Nov 2015 15:12:46 +0100
Re: Amber compactible heparin parameters
Oliver Grant
Mon, 16 Nov 2015 18:40:31 +0000
Re: Amber compactible heparin parameters
Oliver Grant
Mon, 16 Nov 2015 18:36:03 +0000
Re: About using GLYCAM and GAFF for a molecule
Oliver Grant
Wed, 14 Dec 2016 16:26:29 +0100
New Sender Oliver C Grant
Re: UYS not recognized in tLeap?
Oliver C Grant
Thu, 9 Jun 2022 08:37:00 +0000
Re: UYS not recognized in tLeap?
Oliver C Grant
Tue, 7 Jun 2022 16:23:36 +0000
Re: Heparin sulfate YuA residue error in tleap
Oliver C Grant
Mon, 24 Apr 2023 09:09:18 +0000
Re: Glycans not recongnized in tleap
Oliver C Grant
Mon, 24 Apr 2023 09:47:35 +0000
Re: Combining GAFF/FF14SB with GLYCAM
Oliver C Grant
Tue, 25 May 2021 16:36:43 +0000
New Sender Neha S. Gandhi
Re: VIna-carb
Neha S. Gandhi
Tue, 19 Sep 2017 19:33:21 +0000
Re: VIna-carb
Neha S. Gandhi
Tue, 19 Sep 2017 09:07:06 +0000
Re: VIna-carb
Neha S. Gandhi
Tue, 19 Sep 2017 08:45:46 +0000
Re: sulphated glucose tetrasaccharide
Neha S. Gandhi
Thu, 7 Dec 2017 07:48:28 +0000
sulphated glucose tetrasaccharide
Neha S. Gandhi
Thu, 7 Dec 2017 04:42:07 +0000
Re: Reading GAG pdb files and converting to amber
Neha S. Gandhi
Tue, 19 Jul 2022 00:37:59 +0000
Reading GAG pdb files and converting to amber
Neha S. Gandhi
Mon, 18 Jul 2022 00:00:50 +0000
Phosphate parameters
Neha S. Gandhi
Tue, 22 May 2018 01:01:52 +0000
Parameters for 3,6-anhydro-L-galactopyranose
Neha S. Gandhi
Wed, 14 Jun 2017 04:12:38 +0000
Re: new version- pdb files
Neha S. Gandhi
Wed, 9 Mar 2022 09:37:53 +0000
Re: new version- pdb files
Neha S. Gandhi
Wed, 9 Mar 2022 09:33:01 +0000
new version- pdb files
Neha S. Gandhi
Wed, 9 Mar 2022 09:18:10 +0000
Re: Heparin in AMBER
Neha S. Gandhi
Thu, 27 Apr 2017 06:27:23 +0000
GLYCAM compatibility with AMBER force fields
Neha S. Gandhi
Tue, 20 Oct 2020 23:43:35 +0000
Re: GlcNH2
Neha S. Gandhi
Wed, 15 Mar 2017 00:14:00 +0000
Re: GlcNH2
Neha S. Gandhi
Sun, 5 Mar 2017 23:43:11 +0000
deriving parameters for hybrid molecules
Neha S. Gandhi
Fri, 6 Apr 2018 00:22:11 +0000
Re: ADD PHOSPHATE DERIVATIVE
Neha S. Gandhi
Wed, 13 Jun 2018 00:41:36 +0000
Re: β-(1->4)-linked D-mannuronic acid (M)
Neha S. Gandhi
Fri, 15 Dec 2017 02:37:10 +0000
β-(1->4)-linked D-mannuronic acid (M)
Neha S. Gandhi
Fri, 15 Dec 2017 01:37:51 +0000
New Sender Neha Gandhi
VIna-carb
Neha Gandhi
Tue, 19 Sep 2017 02:16:46 -0400
Heparin in AMBER
Neha Gandhi
Sun, 23 Apr 2017 23:22:16 -0400
GlcNH2
Neha Gandhi
Fri, 3 Mar 2017 01:12:31 -0500
New Sender Naveen Kumar Vasudevan
Re: weighing factor for 1-2,1-3,1-4 interactions - reg. (LAMMPS)
Naveen Kumar Vasudevan
Fri, 28 Jul 2017 01:58:45 -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
weighing factor for 1-2,1-3,1-4 interactions - reg. (LAMMPS)
Naveen Kumar Vasudevan
Wed, 26 Jul 2017 13:52:42 -0400
Re: TIP3P water model - lammps data file doesn't include angleinformation.
Naveen Kumar Vasudevan
Fri, 14 Jul 2017 08:45:32 -0400
Re: TIP3P water model - lammps data file doesn't include angle information.
Naveen Kumar Vasudevan
Fri, 14 Jul 2017 00:30:05 -0400
TIP3P water model - lammps data file doesn't include angle information.
Naveen Kumar Vasudevan
Thu, 13 Jul 2017 23:02:31 -0400
Re: sulphated glucose tetrasaccharide
Naveen Kumar Vasudevan
Wed, 6 Dec 2017 23:50:00 -0500
Re: SO3 group bond type for GLYCAM in LAMMPS - reg.
Naveen Kumar Vasudevan
Fri, 14 Jul 2017 08:48:20 -0400
Re: SO3 group bond type for GLYCAM in LAMMPS - reg.
Naveen Kumar Vasudevan
Thu, 13 Jul 2017 15:34:43 -0400
SO3 group bond type for GLYCAM in LAMMPS - reg.
Naveen Kumar Vasudevan
Wed, 12 Jul 2017 17:14:29 -0400
SO3 group bond type for GLYCAM in LAMMPS - reg.
Naveen Kumar Vasudevan
Wed, 12 Jul 2017 16:32:31 -0400
Re: non standard chemical derivative to glycan residue - partial charges
Naveen Kumar Vasudevan
Thu, 17 Aug 2017 09:09:10 -0400
non standard chemical derivative to glycan residue - partial charges
Naveen Kumar Vasudevan
Mon, 14 Aug 2017 14:40:54 -0400
New Sender Natesan Mani
Re: Regarding Glycoprotein builder
Natesan Mani
Tue, 31 Oct 2023 20:30:50 +0000
Re: Regarding Glycoprotein builder
Natesan Mani
Tue, 31 Oct 2023 18:43:46 +0000
Re: Regarding Glycoprotein builder
Natesan Mani
Mon, 30 Oct 2023 13:54:36 +0000
Re: Regarding Glycoprotein builder
Natesan Mani
Mon, 30 Oct 2023 13:48:13 +0000
Regarding Glycoprotein builder
Natesan Mani
Fri, 27 Oct 2023 15:32:02 +0000
New Sender Nagar, Hemant
Re: [External] Re: Heparin sulfate YuA residue error in tleap
Nagar, Hemant
Thu, 27 Apr 2023 19:35:34 +0000
Heparin sulfate YuA residue error in tleap
Nagar, Hemant
Sat, 22 Apr 2023 01:29:08 +0000
New Sender monia kam
Re: Non-terminal protonated version of Glucuronic Acid
monia kam
Sat, 13 Apr 2019 19:48:52 +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
Tue, 2 Apr 2019 14:42:41 +0200
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, 26 Mar 2019 20:19:09 +0100
Non-terminal protonated version of Glucuronic Acid
Monia Kam
Tue, 26 Mar 2019 07:24:30 -0400
Non terminal β-D-Glucosamine
Monia Kam
Fri, 3 May 2019 12:50:17 -0400
Re: Glycam06 for hyaluronic Acid
monia kam
Thu, 21 Mar 2019 09:28:37 +0100
Re: Glycam06 for hyaluronic Acid
monia kam
Wed, 20 Mar 2019 14:10:56 +0100
Glycam06 for hyaluronic Acid
monia kam
Wed, 20 Mar 2019 13:32:15 +0100


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