[gmx-users] Re: grompp for minimization: note & warning
shahab.shariati at gmail.com
Mon Sep 16 16:52:23 CEST 2013
Very very thanks for your quick reply.
> The sys.gro file is positioned within a box that is too large, a fact that is
> easily observable in VMD. I suspect that the void space results in instability.
If I positioned system in a smaller box, my problem (instability) solved ???
> As for the charge group error from grompp, I still can see no reason for it.
In the first e-mail, I put charge groups, as you seen, they were ok and true.
Thus what is reason of charge group error from grompp.
Please guide me to resolve these issues.
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