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Forgot the link.  Go to:  glycam.org/params


On Thu, Oct 25, 2018 at 11:34 AM Lachele Foley <[log in to unmask]> wrote:

> Hi!
>
> You need more prep files.  Go to the site below and look in the "Special
> Releases" section.  You need the GlcNS prep file.  Load that in your leap
> session.
>
>
> On Mon, Oct 22, 2018 at 4:48 AM Javier Lopez <[log in to unmask]>
> wrote:
>
>> Dear Mr./Mrs.
>> We are trying to build “heparin sulfate octasaccharide” using its GLYCAM
>> website (GAG builder Heparin/Heparan sulfate) and use it with AMBER-16 and
>> xleap; but by the moment, this is impossible.
>> Exactly, we are using the next sequence:
>>
>> DGlcpNS[3S]a1-4LIdopA[2S]a1-4DGlcpNS[3S]a1-4LIdopA[2S]a1-4DGlcpNS[3S]a1-4LIdopA[2S]a1-4DGlcpNS[3S]a1-4LIdopA[2S]a1-4-OH
>> The problem is in the residue DGlcpNS[3S]a1 (named by GLYCAM builder as
>> ‘6YS’), which is not detected in xleap and the following message appears
>> (The GYS residue is unknown):
>>
>> Warning: Unknown residue: 6YS number:2 type: Terminal/beginning…
>> Warning: -no luck
>> …
>> Warning: One sided connection. Residue (default_name) missing connect1
>> atom.
>> …
>>
>> Can you help us?
>> If you need anything else, please let me know.
>> Kind regards and have a good day.
>>
>
>
> --
> :-) Lachele
> Lachele Foley
> CCRC/UGA
> Athens, GA USA
>


-- 
:-) Lachele
Lachele Foley
CCRC/UGA
Athens, GA USA