Re: AMBER: Replica Exchange

From: Carlos Simmerling <>
Date: Thu, 07 Jul 2005 09:43:17 -0400

there is a sample input in test/rem.

The replica exchange in Amber isn't set up to work in series, it
uses MPI and runs all of the replica simulations at once.
You should be able to use scripts to set up a version in
series using normal MD and doing the exchange calculation
outside of Amber. You'd have to create those yourself, though.

Anthony Cruz wrote:

>I want to know if the replica exchange could be run in serie in one processor
>also issomeone know where I can find a example of a replica exchange
>Thank you.

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Thu Jul 07 2005 - 14:53:00 PDT
Custom Search