[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,

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