[gmx-users] Number of grid cells is zero!!
best alep
prism_dead at yahoo.com
Wed Mar 14 04:59:30 CET 2007
hello guys,
I try to run simulation and i got this kind of error. Could somebody help me to identify my problems?
when i started the mdrun;
500000 steps, 1000.0 ps.
step 0
Step 1 Warning: pressure scaling more than 1%, mu: 1.10197 1.10197 1.10197
Wrote pdb files with previous and current coordinates
Step 2 Warning: pressure scaling more than 1%, mu: 2.31059e+17 2.31059e+17 2.31059e+17
Back Off! I just backed up step1.pdb to ./#step1.pdb.1#
Wrote pdb files with previous and current coordinates
Step 3 Warning: pressure scaling more than 1%, mu: 3.33856e+17 3.33856e+17 3.33856e+17
Back Off! I just backed up step2.pdb to ./#step2.pdb.1#
Wrote pdb files with previous and current coordinates
-------------------------------------------------------
Program mdrun, VERSION 3.3
Source code file: nsgrid.c, line: 220
Fatal error:
Number of grid cells is zero. Probably the system and box collapsed.
-------------------------------------------------------
Thanks to all who read, and i really hope that somebody could help me. is this because of my .mdp file?
I'm in trouble,
Alif
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