Hello, gmx-users, i used command"pdb2gmx -f a.pdb -ignh" but i got error like:
Program pdb2gmx, VERSION 3.3 Source code file: add_par.c, line: 218 Fatal error: Atom H2 not found in rtp database in residue BEN ------------------------------------------------------- there are no H2 atom in my file. why? my version is gromacs3.3 Regards Thanks Rongliang Wu [EMAIL PROTECTED] 2006-04-19
_______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users 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