did you change the value of NTC between min and md?
cailliez wrote:
>
> What is even stranger is that the BOND energy at the end of the
> minimisation does not correspond
> with the BOND energy of the first calculation of the following run
> (although the other energies :dihedral,
> vdW,... correspond).
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Received on Tue Oct 19 2004 - 18:53:00 PDT
