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

[Shirts, Michael (mrs5pt)]

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
be.

> 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!

Best,
~~~~~~~~~~~~
Michael Shirts
Assistant Professor
Department of Chemical Engineering
University of Virginia
michael.shirts at virginia.edu
(434)-243-1821