> Hi, > > Is there any fast program to build topology for all-atom OPLS force-field? > I tried to use PRODRG, but it only has united atom possibilities.
You must either use pdb2gmx or read Chapter 5 and gromacs/share/top/ffoplsaa* and produce one by hand. Mark _______________________________________________ gmx-users mailing list gmx-users@gromacs.org 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
