WHY!!! num_runs should be divisible by runs_per_frame * frames_per_restart -->REMD

From: Nicholus Bhattacharjee (nicholusbhattacharjee_at_gmail.com)
Date: Fri Apr 22 2016 - 08:21:46 CDT

Hello all,

I don't understand the idea why in REMD

num_runs should be divisible by runs_per_frame * frames_per_restart

It looks like as if for regular MD

run should be divisible by dcdfreq * restartfreq (which is not mendatory)

Am I missing something??

Thanks for the reply.

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