Dear justin I cannot find my error.I make mix solvent tfe and spc ( was minimized)and solvate on a peptide.I use ffg53a5 .I take this error .I saw in line 61 in top file but there is not Ho in top file and rtp file ffg53a5. what do i de?please help me.
Back Off! I just backed up mdout.mdp to ./#mdout.mdp.6# checking input for internal consistency... calling /lib/cpp... processing topology... Generated 165 of the 1596 non-bonded parameter combinations Cleaning up temporary file gromppIpCYKg ------------------------------------------------------- Program grompp, VERSION 3.3.2 Source code file: toputil.c, line: 61 Fatal error: Atomtype 'HO' not found! best regards -- sh-karbalaee _______________________________________________ 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
