[Top][All Lists]

[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Re: [ESPResSo-users] H_bond

From: Tristan Bereau
Subject: Re: [ESPResSo-users] H_bond
Date: Thu, 28 Jun 2012 13:56:28 +0200

Dear Mohammad,

That really depends on what you have in mind. I had implemented in ESPResSo a directional Lennard-Jones interaction potential aimed at reproducing backbone-backbone hydrogen-bonds in CG proteins. It's in the user guide, look for "Directional Lennard-Jones interaction". For an illustration of the potential, see

But again, it's only one implementation that may or may not fit your needs.


On Thu, Jun 28, 2012 at 1:43 PM, mehdi ezatabadi <address@hidden> wrote:
Dear Friends

Would you know how to simulate H bond in Espresso?  Mr.Kosovan suggested me to use new dynamical bonding feature of Espresso 3.1. Can anyone help me in more details.

Thanks. Mohammad

reply via email to

[Prev in Thread] Current Thread [Next in Thread]