[gmx-users] How to get topology file for OPLS

[Rui Li]

OK,I will try.
Thank you!


ÔÚÄúµÄÀ´ÐÅÖÐÔø¾­Ìáµ½:
>From: Mark Abraham <Mark.Abraham at anu.edu.au>
>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>Subject: Re: [gmx-users] How to get topology file for OPLS
>Date:Sun, 22 Apr 2007 20:06:50 +1000
>
>Rui Li wrote:
> > Dear all, 
> > I have a ligand moleculer, and I process it on PRODRG, but it only get top
file
> > for GROMOS force field, I want get the atom type for OPLS, How can I do this?
> 
> There's nothing for it but to use (say) the PRODRG output as a template 
> and to build your own through a thorough knowledge of Chapter 5 of the 
> manual.
> 
> Mark
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