To: Help and discussion for users of IMP <>, Andrea Graziadei <>
Subject: Re: [IMP-users] restarting a run
From: Ben Webb <>
Date: Mon, 9 Mar 2020 15:59:54 -0700
On 3/9/20 10:35 AM, Andrea Graziadei wrote:
I was wondering if there is a way to restart a PMI ReplicaExchange0 run
that crashed half way through or extend a run that has finished from a
set of rmf and stat files. Is this possible?
No, but normally this isn't an issue, as in most production sampling you
would run multiple independent trajectories anyway (and combine them at
the analysis step). The analysis shouldn't care if some trajectories are
shorter than others.
Ben
--
https://salilab.org/~ben/
"It is a capital mistake to theorize before one has data."
- Sir Arthur Conan Doyle