Re: [AMBER] ips=4 and pmemd.cuda

From: David A Case <case.biomaps.rutgers.edu>
Date: Wed, 5 Sep 2012 08:37:57 -0400

On Wed, Sep 05, 2012, Martin Andersson wrote:
>
> Both pmemd and pmemd.cuda complain about ips values larger than 1. Is
> the 3D IPS/DFFT not implemented into pmemd and pmemd.cuda yet?

Yes, we have no bananas; (and no support in pmemd for ips>1).

....dac


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Received on Wed Sep 05 2012 - 06:00:08 PDT
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