Dear justin as your telling I have two way for my problem: 1-choose force field that is compatible to TFE(with 7 atom) that I used another force field.I made tfe.pdb (with 7 atom) and choose gromos 96 but I got error that dont found HO atom. 2)another way,I must itp file for tfe with opls forcefield.IF it is please advise me. first I must make topology file with pd2gmx for tfe and make tfe.itp .and insert in top folder?
best and appreciate you very much sh-karbalaee _______________________________________________ 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
