[gmx-users] init_lambda = 1.00
Raghunadha Reddy Burri
burri at heineken.chemie.uni-dortmund.de
Fri Jun 4 17:29:17 CEST 2004
Dear Dr. XAvier,
I tried different time steps, but no change, I got same error,
I think my system too big!!
(There are: 4873 OTHER residues ;SOL
There are: 11 PROTEIN residues
There are: 0 DNA residues)
their is any otherway to prevent exploding
Thank you very much
Back Off! I just backed up dgdl7.xvg to ./#dgdl7.xvg.6#
starting mdrun 'peptide in water'
25000 steps, 1.2 ps.
Fatal error: ci = -2147483648 should be in 0 .. 342 [FILE nsgrid.c, LINE 210]
On Friday 15 Sivan 5764 04:39 pm, Xavier Periole wrote:
> Looks like your system is exploding !!! Try reduce the time step and see
> if it is still happening
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