[gmx-users] trr and xtc

Jamie Seyed jamie.seyed at gmail.com
Wed Jul 22 17:28:29 CEST 2009

Dear all,
I did a simulation of spce water and every thing seemed ok, when I did mdrun
-s file.tpr -o file.trr -c file_out.gro -v -g file.log, I got a file.trr
with zero size, but I have file.xtc that seems fine with VMD. I don't what
happened here. Any idea?
Also I looked at the box size from first file.gro and last file_out.gro.....
It shows the box size has been changed a little bit:

first it was 1.86206 1.86206  1.86206
finally it is 1.86586  1.86586  1.86586

Can someone please kindly make it clear to me why it happened?

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