[gmx-users] How to avoid dumping trr file?

Christopher Neale chris.neale at mail.utoronto.ca
Fri Nov 9 15:31:44 CET 2012

By dumping, I presume you mean writing it to disk during mdrun.

set this in your .mdp file:

nstxout = 0
nstvout = 0
nstfout = 0

And, while you are at it:

nstlog = 0


-- original message --

Sometimes I do not need to dump the .trr file, which is really big.

I am wondering if I can avoid it?

Thank you very much.


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