Re: amber-developers: Extra Points Calculation

From: David A. Case <case.biomaps.rutgers.edu>
Date: Mon, 10 Nov 2008 18:31:28 -0500

On Mon, Nov 10, 2008, Volodymyr Babin wrote:
>
> please see the patch for cvs sander attached. Does it
> look harmless enough to be committed?

> - max14 = 3*(nphih+nphia+ndper)
> + max14 = 24*(nphih+nphia+ndper)

etc.

To follow up on Bob's question: is this aimed at fixing the problem Lachele
reported with glycam extra-point stuff? Or is it something different?
And, why allow both EP and LP?

...thx...dac
Received on Fri Dec 05 2008 - 14:18:41 PST
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