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

From: FyD <fyd.q4md-forcefieldtools.org>
Date: Wed, 25 Jun 2014 08:14:23 +0200

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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Received on Wed Jun 25 2014 - 06:00:03 PDT