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? Thanks, Jamie
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