[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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