[gmx-users] mdrun cpt
pavan.gromacs at gmail.com
Sun Oct 27 14:37:18 CET 2013
Is there a way to make mdrun put out .cpt file with the same frequency as a
.xtc or .trr file. From here
http://www.gromacs.org/Documentation/How-tos/Doing_Restarts I see that we
can choose how often (time in mins) the .cpt file is written. But clearly
if the frequency of output of .cpt (frequency in mins) and .xtc (frequency
in simulation steps) do not match, it can create problems during analysis;
especially in the event of frequent crashes. Also, I am not storing .trr
file since I dont need that precision.
I am using Gromacs 4.6.1.
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