dear users I am trying to run the simulation fo a protein/DMSO system,Its working well till genbox but while running GROMPP I am gettin a fatal error,which is atom type 'SD' not found. SD is given in the gro & itp file of DMSO. what should I do to overcome this problem........ I have tried by replacing SD by S,but its of no use I should generate a separate top file for DMSO and then include it in the topology file generated for protein I tried to do this also using PDB2GMX command but again I am gettin error related to 'SD' please help me.......... regards &thanx in advance
-- PRASUN (ASHOKA)
_______________________________________________ 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