Thank you Mark for you prompt response. I tried: $pdb2gmx -ignh -merge all -chainsep ter -ff amber99sb -water tip3p -f <pdb> -o <gro> -p <top> $grompp -f <mdp> -c <gro> -p <top> -o <tpr>
and it works perfectly, i.e. it correctly creates interchain disulfide bond. However, when I use charmm27 force field instead of amber99sb, I get the following error from grompp: ---------------------------------------------------------------------------- Program grompp, VERSION 4.5.5 Source code file: toppush.c, line: 1346 Fatal error: Unknown cmap torsion between atoms 3224 3226 3228 3234 3237 ---------------------------------------------------------------------------- So I believe this error is specific to charmm27 force-field. Any thoughts ? Thanks neeraj -- View this message in context: http://gromacs.5086.n6.nabble.com/Interchain-Disulfide-Bond-tp4488616p4489663.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- 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/Support/Mailing_Lists/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/Support/Mailing_Lists
