Dear users,
I would like to calculate the mean square displacement.
Using the
g_msd -f traj.xtc -s input.tpr -n index.ndx -o msd.xvg
I get
Reading file input.tpr, VERSION 3.3.2(single precision)
Reading file input.tpr, VERSION 3.3.2(single precision)
Group 0( C) has 1 elements
There is one group in the index
Reading frame 0 time 0.000
The system always freezes here without any warning or error. I have checked my
Input files both visually and using gmxcheck, can not find any problem.
Thank you very much for your help. I have tried to find the solution in both
manuals
and archives (thank you very much for them), you are my last resort.
Thank you in advance,
Katka Hynstova
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