[gmx-users] error in gromppp
itanis at auth.gr
Wed May 24 11:50:37 CEST 2006
I'm trying to simulate a dendrimer using AMBER and when running grompp i get the
Atom index (1) in settles out of bounds (1-0).
I didn't make any change in spc.itp file so that sounds a bit strange.
The [settles] field contains the lines:
;OW funct doh dhh
1 1 0.1 0.16330
Does anyone have an idea of what might be wrong?
Department of Chemical Engineering,
Aristotle University of Thessaloniki,
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