[gmx-users] MD stopped
tanos at ime.eb.br
Fri May 7 16:07:06 CEST 2004
I was peforming a MD of 1 ns but it suddenly stopped and sent me the
following message :
t = 599.086 ps: Water molecule starting at atom 123889 can not be settled.
Check for bad contacts and/or reduce the timestep.Wrote pdb files with
previous and current coordinates
Large VCM(group rest): 284531215040512.00000, -217004363481088.00000,
245415253377024.00000, ekin-cm: 7.75014e+34
Does someone knows what does it means ????
Is that a bug or can I ignore this mesage and restart the MD from
where it stopped ????
Thanks in advance.
Tanos C. C. Franca
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