Re: [AMBER] Force field for carbohydrates-Reg.

From: Lachele Foley <lf.list.gmail.com>
Date: Wed, 25 Jun 2014 10:46:20 -0400

Yes, you can use the GLYCAM force fields. And, I gave you complete
instructions how to do that. Please say so if you need help with the
instructions.


On Wed, Jun 25, 2014 at 2:14 AM, FyD <fyd.q4md-forcefieldtools.org> wrote:
> Dear Ramesh,
>
>> Can anybody suggest the preferred force field for studying gammacyclodextrin
>
> See http://www.ncbi.nlm.nih.gov/pubmed/21792425?dopt=Abstract
> & http://q4md-forcefieldtools.org/REDDB/projects/F-85/
>
> In this work one can see that Glycam 2006 presents some limitations...
>
> When using RED Server Dev/PyRED simply set in the System.config file:
> FFPARM = GLYCAMFF04
>
> See http://q4md-forcefieldtools.org/REDServer-Development/
>
> http://q4md-forcefieldtools.org/REDServer-Development/Documentation/System.config
>
> regards, Francois
>
>
>
> _______________________________________________
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> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber 



-- 
:-) Lachele
Lachele Foley
CCRC/UGA
Athens, GA USA
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Received on Wed Jun 25 2014 - 08:00:02 PDT
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