Re: [AMBER-Developers] requirement for an even number of replicas in replica exchange?

From: David Case <david.case.rutgers.edu>
Date: Thu, 26 Sep 2019 13:33:31 +0000

On Wed, Sep 25, 2019, cancersimulation.gmail.com wrote:

>> > The even/odd-number replica fix commit is
>> >
>> > Also, to enable this capability, one needs to add "gremd_acyc=1" in
>> > the input file.

Thanks, Taisung. But don't forget that you need to get info about this
(and other) changes into the documentation. Easier to do that when you
change the code than to try to remember everything that got changed
later on.

....thx...dac


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Received on Thu Sep 26 2019 - 07:00:02 PDT
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