[gmx-users] error in gromppp

Ioannis Tanis itanis at auth.gr
Wed May 24 11:50:37 CEST 2006

Dear All,

I'm trying to simulate a dendrimer using AMBER and when running grompp i get the
error message:
 file /usr/share/gromacs/top/spc.itp
 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?

Yannis Tanis,
Department of Chemical Engineering,
Aristotle University of Thessaloniki,

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