Re: [AMBER] PMEMD Distance Restraints

From: David A Case <case.biomaps.rutgers.edu>
Date: Sun, 21 Sep 2014 10:20:59 -0400

On Sat, Sep 20, 2014, Parker de Waal wrote:
>
> I was reading through the manual to see if I could apply distance
> constraints between a number of residues in a PMEMD.CUDA run simulation,
> however it looks like NMR type restraints only work in SANDER.

It would be helpful if you could point us to the part of the manual that seems
to imply this. (Sometimes old verbiage persists in the manual, or things that
seems clear to us are not clear to users.)

As always, we encourage users to "just try it", and see what happens.

...good luck...dac


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Received on Sun Sep 21 2014 - 07:30:02 PDT
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