[gmx-users] How to get topology file for OPLS
moonfine at mail.sdu.edu.cn
Sun Apr 22 14:27:44 CEST 2007
OK,I will try.
>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
> > 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
> gmx-users mailing list gmx-users at gromacs.org
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
More information about the gromacs.org_gmx-users