[Top][All Lists]

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

Re: [ESPResSo-users] Need Help

From: mehdi ezatabadi
Subject: Re: [ESPResSo-users] Need Help
Date: Thu, 14 Jun 2012 03:50:16 +0430

Dear Dr.Kesselheim

I have a problem with my project. I have a md simulation. I have two different bases that interact with each other with LJ potential by the bellow command:

inter 3 4 lennard-jones $ljAtt_eps $ljAtt_sig $ljAtt_cut 0 0

To simulate H bond among these types of particles in every step I should have look for the nearest complementary base and allow the particle to interact just by this nearest neighbor and exclude the other complementary neighbors in this step. And iterate it in every step again. I dont know how to perform it in Espresso. I look at the tutorial but I could not find any suitable command. I would be grateful if you guide me by this problem.

Thank you, Mohammad

reply via email to

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