AMBER Archive (2004)

Subject: Re: AMBER: BOND energy during minimisation

From: Carlos Simmerling (carlos_at_ilion.bio.sunysb.edu)
Date: Tue Oct 19 2004 - 12:33:52 CDT

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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