[gmx-users] OPLSS-AA

Adriana Pietropaolo adriana at ms.fci.unibo.it
Tue Feb 21 11:23:49 CET 2006

sorry Mark,
I hope to be more clearly
this is the error message:
Found 265 phi-psi combinations
Fatal error: Dihedral around 21,27 not found in topology

and in a last gromacs mail I found this:

Hi David, 
> > 
> >> I suspect it's a force field problem, that is you used OPLS, whereas 
> >> afraid to admit that part of this code expects the topology to have
> >> gromos-like dihedrals. If this is the case you coud remake a topology
> >> using the ffgmx2 force field and use that for this analysis only.
> > 

So, I would like to know if there's a g_rama error, or a more serious 
problem with the reading of parameter file of OPLSS-AA, implicating the 
goodness of my protein dynamics,
thanks and sorry again,

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