Re: [AMBER] NMR restraint

From: David A Case <>
Date: Fri, 29 Jul 2016 07:35:08 -0600

On Fri, Jul 29, 2016, Ming Tang wrote:
> In the RST file of NMR restraint, I set ir6=0, distance restraint
> between igr1 and igr2 groups. Is the equivalent force added to each of
> the atoms in those 2 groups or the centre of mass of them?

The restraint is on the center of geometry (no mass weighting).


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Received on Fri Jul 29 2016 - 07:00:02 PDT
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