Dear All, I am starting some simulations and would like to write out some coordinates more frequently than others, is this currently possible. Below is how I envisaged using the commands, however it seems that I don't quite understand. Is something like this possible and how do I implement this?
Cheers, Bryn nstxtcout = 1000 50 1 nstenergy = 1000 50 1 xtc_grps = System Protein N_H energygrps = System Protein N_H _______________________________________________ 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
