[gmx-users] How to decrease the time gap between frames of an already made simulation

[Smith, Micholas D.]

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-bounces at maillist.sys.kth.se <gromacs.org_gmx-users-bounces at maillist.sys.kth.se> on behalf of Marko Sever <Marko.Sever at ki.si>
Sent: Tuesday, October 18, 2016 9:33 AM
To: gromacs.org_gmx-users at 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


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