karami.leila1 at gmail.com
Sat Nov 14 14:21:56 CET 2009
I did command (mdrun -s -o -c -e -g) but following error was came up where
as my dt is 0.001 ps in mdp file:
t = 0.005 ps: Water molecule starting at atom 20937 can not be settled.
Check for bad contacts and/or reduce the timestep.
Wrote pdb files with previous and current coordinates.
I reduced time step but same error was came up again.I enlarged box size but
same error was came up again.
please guide me.
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