Re: [ESPResSo-users] H_bond

[Tristan Bereau]

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 http://dx.doi.org/10.1063/1.3152842. 

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

Best,

Tristan

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