On Thu, Oct 15, 2015, Kalenkiewicz, Andrew (NIH/NICHD) [F] wrote:
>
> I see that the randomization procedure for pmemd is defined in
> dynamics.F90 under vrand_set_velocities. Are you suggesting something
> should be changed in this procedure in order to account for shake?
Yes....dac
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Received on Thu Oct 15 2015 - 10:00:03 PDT
