Re: [AMBER] Script for creating topology files , running minimization and MD simulation in amber

From: Palanimuthu M <palanibioinfo.gmail.com>
Date: Fri, 26 Mar 2010 11:25:53 +0530

Dear sir

          i referred the tutorials, in this am having some doubts sir. By
using antechamber we are creating the library file, as well as the prmtop
and inpcrd files for ligand. My protein is consist of the number of ligand
molecule, how to rename these all ligands.

*And then how to mix the traditional AMBER force fields with GAFF,*





On Fri, Mar 26, 2010 at 10:54 AM, manoj singh <mks.amber.gmail.com> wrote:

> please refer to
>
> www.ambermd.org/tutorials
>
>
> On Fri, Mar 26, 2010 at 1:23 AM, Palanimuthu M <palanibioinfo.gmail.com
> >wrote:
>
> > Dear amber users
> > how to create the topology file for protein ligand complex...
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> >
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Received on Thu Mar 25 2010 - 23:00:06 PDT
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