[gmx-users] How can I create the OPLS-AA topology file for the liagnd
Ms. Aswathy S
aswathys at amritapuri.amrita.edu
Fri Jun 12 08:07:46 CEST 2009
i would like to do a ligand -receptor simulation using OPLS-AA force field. I suppose using the options in Gromacs I can create the itp files for protein only. But how can i create the OPLS --AA topology file for the ligand. I think PRODRG server only creates gromacs force field. Please coreect me if my understanding is wrong.
Thanks in advance,
More information about the gromacs.org_gmx-users