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

[Christopher Neale]

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

Chris.

-- 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.

Regards,
Kai