Hi, Does anybody knows how to save the velocities of a group of particles every N time steps without having to write the .trr file for the whole system? I mean my system has two kinds of molecules say A and water what I want is to save the velocities for the atoms in the molecule A every certain number of steps. The .trr file seems to be very big. Therefore I just want to write the velocities of the molecule A which is small.
thanks in advance. -- gmx-users mailing list gmx-users@gromacs.org http://lists.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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
