Re: [AMBER] tleap adds in "missing" terminal hydrogens - how to stop?

From: case <case.biomaps.rutgers.edu>
Date: Wed, 27 Jun 2012 20:44:21 -0400

On Wed, Jun 27, 2012, Brandon Sim wrote:

>
> Will sander be able to snap the bond back to its equilibrium length?

Worth a try: do minimization first, probably with SHAKE turned off.

...dac


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Received on Wed Jun 27 2012 - 18:00:02 PDT