encountered the problem when running grompp: Fatal error : number of coordinates in coordinate file <calsm.pdb,134637> does not match topology <cals.top,0>
the em.mdp file is as follows : ; ; User spoel (236) ; Wed Nov 3 17:12:44 1993 ; Input file ; constraints = none integrator = steep nsteps = 100 ; ; Energy minimizing stuff ; emtol = 2000 emstep = 0.01 nstcomm = 1 ns_type = grid rlist = 1 rcoulomb = 1.0 rvdw = 1.0 Tcoupl = no Pcoupl = no gen_vel = no ___________________________________________________________ Tiscali Broadband from 14.99 with free setup! http://www.tiscali.co.uk/products/broadband/ _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users 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
