[gmx-developers] FW: Questions - cutoff in the bonding potential and editing the replica exchange function

Shirts, Michael (mrs5pt) mrs5pt at eservices.virginia.edu
Tue Mar 27 15:50:01 CEST 2012

Hi, Asaf-

I think you need to be more specific to get any useful response.

> One is about how to add cutoff to the bonding energy (I guess the pairing
> terms can be done without editing the code)

It's not clear what the purpose of adding a cutoff to the bonded term would

> and the other one is if anyone
> wants to help us in editing the replica exchange function (cooperation)?

You need to specify what you are editing it to do!

Michael Shirts
Assistant Professor
Department of Chemical Engineering
University of Virginia
michael.shirts at virginia.edu

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