Hi Supti, > ------------------------------ > > Program grompp_d, VERSION 4.0 > Source code file: grompp.c, line: 352 > > Fatal error: > number of coordinates in coordinate file (file_b4em.gro, 46634) > does not match topology (file.top, 9977) > -------------------------
It's just what it says. There's a mismatch between the numbers of atoms. Either your .top file wasn't updated after genbox to include the solvent, or the way the solvent was included was not correct. But you'd probably have a different error then. Check the lines beneath the [ molecules ] section (under [ system ]) at the end of the .top file. Cheers, Tsjerk -- Tsjerk A. Wassenaar, Ph.D. Junior UD (post-doc) Biomolecular NMR, Bijvoet Center Utrecht University Padualaan 8 3584 CH Utrecht The Netherlands P: +31-30-2539931 F: +31-30-2537623 _______________________________________________ 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
