From: Nicholus Bhattacharjee (nicholusbhattacharjee_at_gmail.com)
Date: Fri Apr 22 2016 - 08:21:46 CDT
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.
This archive was generated by hypermail 2.1.6 : Sun Dec 31 2017 - 23:20:21 CST