[gmx-users] minimization -- bugzilla or general advice?
dmobley at gmail.com
Thu Mar 27 21:02:10 CET 2008
> Hmm. Is this different from how other packages handle this issue? I
> have never had the recurring problems with minimization in GROMACS
> that I have in other packages. Even though, strangely enough, water is
> a common feature in most of the simulations I run.
That was backwards. I have recurring problems with minimization in
GROMACS that I've never had in other packages, even though I do
normally use water. That makes me wonder if there is a significant
difference with how this is handled in gromacs.
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