[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 

Till Then

Raghu Burri

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
> XAvier
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