Hi Marko, Unless you saved your trajectory at a 1picosecond/frame saving rate, you won't be able to reduce the "gap" from 20ps to 1ps.
-Micholas =================== Micholas Dean Smith, PhD. Post-doctoral Research Associate University of Tennessee/Oak Ridge National Laboratory Center for Molecular Biophysics ________________________________________ From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se <gromacs.org_gmx-users-boun...@maillist.sys.kth.se> on behalf of Marko Sever <marko.se...@ki.si> Sent: Tuesday, October 18, 2016 9:33 AM To: gromacs.org_gmx-users@maillist.sys.kth.se Subject: [gmx-users] How to decrease the time gap between frames of an already made simulation Hello, could you please advise regarding the correct command for decreaseing the time gap between frames of an already made simulation, from 20ps to 1ps. I tried these commands but they didn't work: gmx trjconv -s md.tpr -f md.trr -o md1pico.xtc -tu ps -skip 500 gmx trjconv -f md.trr -o md1pico.xtc -timestep 1 And various similair commands to those... But seems it isn't the correct way to go about it... Can you guys help? Cheers, Marko -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
