Dear GROMACs users, we have a task to use Amber force fields for protein-ligand complexes for GROMACS MD simulation. Which strategy is better to use? 1. To make .inpcrd and .prmtop files and then apply amb2gmx.pl script. Is output for the protein-ligand complex for this script will be correct? 2. Make .gro and .top files for ligand and protein separately and then to combine them to one .gro file and one .top file for protein-ligand complex simulation if it is possible.
Best regards, Andrew Voronkov _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://lists.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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
