Jianping,
> But I only can run this minimization 6 steps.
In that case I suggest looking at the parameterization of the
atom indicated by GMAX in the output - vdw and bonds, angles,
dihedrals involving that atom. Particularly the vdw of the atom;
also its charge.
suggest Also checking your structure in that neighborhood for artifacts.
Bill
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Received on Wed Aug 19 2009 - 21:21:37 PDT
