From: Mortimer Hemmit (mortimer.hemmit_at_gmail.com)
Date: Fri May 22 2020 - 17:28:59 CDT
Your simulation will run, but it won't save a dcd frame for those last
few extra steps.
On Fri, May 22, 2020 at 4:25 PM Oscar Bastidas <obastida_at_umn.edu> wrote:
> Would someone please tell me if it is necessary for the 'run' value in the conf file to be an integer multiple of of the 'dcdfreq' variable value?
> Will the simulation be off/not work if 'run' is not an integer multiple of 'dcdfreq', but just simply bigger than 'dcdfreq'?
> I pose these questions in the context of having additional/subsequent simulations picking up from where the previous left off and where in such back-to-back conf files, the values of 'dcdfreq' and 'run' do not change (i.e. the value of 'dcdfreq' in one conf file is exactly the same as in all the other conf files). Thanks.
> Oscar Bastidas, Ph.D.
> Postdoctoral Research Associate
> University of Minnesota
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