[gmx-users] changing the time step with tpbconv

Fri Mar 21 17:00:44 CET 2008

Hi all,

I am performing an 80-ns simulation. During the optimization of the parameters that were used in this run, I had performed some small test simulations, and used short frequency values to write the velocities. Unfortunately, I did not change this value into a bigger one before starting the main (longer) simulation. Consequently, I want to change the time step and use tpbconv to restart. 

Is there any way to do that?

Thanks in advance...
Ozge Engin
Computational Science & Engineering
Koc University

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