[gmx-users] mdrun -x for REMD does not work

jlenz jlenz at zbh.uni-hamburg.de
Fri Sep 25 14:27:49 CEST 2009


Hi,

I doing REMD simulations on a variety of peptides for 5 different  
temperatures.
Since the output trr files are very big before the compression I tried  
to give the mdrun function the -x option in order to write out  
compressed files.
Unfortunately that does not work. There is no xtc file written out.  
Instead, there occur the five different traj.trr files.

Is there a chance to directly write out compressed files ? What did I  
do wrong ?
Thanks for an answer,
Joern



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