[gmx-users] Genbox fatal error
mattiofer at gmail.com
Thu Nov 17 09:38:26 CET 2005
Dear Gromacs users,
I tried to add 57792 water molecules to my system, starting from 1 water
molecule (from the file water.gro) with the command:
genbox -cp box12.gro -ci water.gro -o caixaprox1.gro -p genfro1.top -nmol
But I got this strange fatal error during the run of genbox :
Fatal error: realloc for nlist->jjnr (65536 bytes, file ns.c, line 459,
The genbox tried till :
Try 6835box_margin = 0.315!
Removed 0 atoms that were outside the box
Neighborsearching with a cut-off of 0.45
With the same command for example to add 200 molecules it seems to work...
Does anybody has experimented such a situation? I just don´t know what went
wrong, some help would be nice.
Thank you very much in advance and best regards,
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