Hello, I would like to setup a screensaver to visualize structures as we are simulating them. We want to avoid slowing down the simulation significantly. I found a solution that read pdb files. Is there a way to reduce the frequency mdrun updates the confout.gro?
The structure file (-c) contains the coordinates and velocities of the last step -c confout.gro Output Structure file: gro g96 pdb if I increase these values, does it write to these files less frequently or are we stuck with the updating this structure every step? nstxout: (100) [steps] frequency to write coordinates to output trajectory file, the last coordinates are always written nstvout: (100) [steps] frequency to write velocities to output trajectory, the last velocities are always written -- Jack http://drugdiscoveryathome.com http://hydrogenathome.org -- 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
