Replica Exchange: Equilibrating at each temperature

From: Horia Jalily Hasani (jalilyha_at_ualberta.ca)
Date: Mon May 30 2016 - 11:28:24 CDT

Hi,

I wish to implement a step during REMD, to equilibrate each replica at its
own temperature before starting the swaps.

Considering I have the following 3 files, I am not sure which one should be
modified and how should it be done:
replica.conf
_base.namd
replica.namd

Your response is much appreciated.

Regards,
Horia

This archive was generated by hypermail 2.1.6 : Tue Dec 27 2016 - 23:22:13 CST