Hello users, I found a problem similar to one described in the mailing list. The problem occurs in grompp wherein it says unrecognized atom type CB. As suggested in the mailing list the problem arises when in a ligand protein system the ligand is prepared using the PRODRG server GROMOS87 format and the protein is prepared in some other FF..in my case 43a1(GROMOS96)..when i prepared my protein using the -ff gmx flag (gmx Gromacs Forcefield (a modified GROMOS87)) grompp did not have any problems. My question is that is there a way to prepare the ligand in 43a1 format so that when i run grompp the relevant input files are is the same desired format. Thanks in advance
Prasenjit Kumar Mukherjee Graduate Student Department of Medicinal Chemistry School of Pharmacy University of Mississippi USA Cell - 662 380 0146 Office - 662 915 1286 _______________________________________________ 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
