[gmx-users] error: triclinic skew factor - number of DD cells

[Claus Valka]

Hello,

when I start the simulation my box vectors are the following :
16.89660   2.61581   2.07800   0.00000   0.00000  -0.43665   0.00000   0.00000   0.00000

and with the command (the final written step was at 40487):
trjconv -f traj.trr -dump 40487 -o out.gro

I got these box vectors:
22.35607   1.93762   2.21866   0.00000   0.00000  -1.78430   0.00000   0.11905   0.05522

Thank you,
Nikos




      
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