[gmx-users] simulation crash with GROMOS96 force field
chris.neale at utoronto.ca
chris.neale at utoronto.ca
Sun Jan 24 19:53:39 CET 2010
> All the directives are correct. Chris just mistyped saying
>>> [ molecules ]
>>> CIP 3
> instead of
> [ moleculetype ]
> CIP 3
> that I orginally send him.
Not true. I meant exactly what I typed. I am referring to the section
that occurs at the end of your .top file:
It sometimes looks like this:
[ molecules ]
; name number
Protein 1
SOL 9158
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