Dear Users When I try adding charges (negative charges by adding Cl), using the command
/opt/gromacs/bin/grompp_mpi -np 32 -f em_cc.mdp -po det_em2.mdp -c 1A92_m1_neu.gro -p 1A92_m1.top -o 1A92_m1_em.tpr it gives me the following error... ------------------------------------------------------- Program grompp_mpi, VERSION 3.3.1 Source code file: toppush.c, line: 1293 Fatal error: No such moleculetype CL ------------------------------------------------------- Could anyone tell me what would be the possible reason for this error? Thanks in advance Namitha Mohandas National Center for Biological Sciences Tata Institute of Fundamental Research Bangalore India _______________________________________________ gmx-users mailing list [email protected] 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
