Dear gromacs-users, I have a problem with the output file of g_density. It uses .tpr and .trr files in order to make calculations. I have made the .trr file using the parameters below. Since total step size is 1000000 and I have written the coordinates at each 50 steps, I expect to have more than 50 values in the output file of g_density; but there are only 50. Why is this the case?
Thank in advance ... Ozge dt = 0.002 ;ps nsteps = 1000000 nstcomm = 1 nstxout = 50 nstvout = 0 nstfout = 0 nstlist = 10 ns_type = grid ; Output frequency for energies to log file and energy file = nstlog = 50 nstenergy = 50 _______________________________________________ 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
