The easiest is to use antechamber to generate your topology and then use the amb2gmx.pl (http://www.alchemistry.org/wiki/index.php/Image:Amb2gmx.gz) To convert your amber topology to gromacs.
sevaas Message: 2 > Date: Sat, 18 Oct 2008 00:23:07 -0200 > From: "Ragnarok sdf" <[EMAIL PROTECTED]> > Subject: [gmx-users] ffamber99 topologies for ligand > To: [email protected] > Message-ID: > <[EMAIL PROTECTED]> > Content-Type: text/plain; charset="iso-8859-1" > > How do I create topology files for a ligand when using ffamber99 in gromacs? > Thank you > Fabrcio Bracht > -------------- next part -------------- > An HTML attachment was scrubbed... > URL: > http://www.gromacs.org/pipermail/gmx-users/attachments/20081018/597eb89b/attachment-0001.html > > ------------------------------ > _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users 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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
