[gmx-users] Re: grompp for minimization: note & warning
shahab.shariati at gmail.com
Mon Sep 16 16:53:28 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.
More information about the gromacs.org_gmx-users