[AMBER] General question

From: George Tzotzos <gtzotzos.me.com>
Date: Mon, 13 Aug 2012 22:42:02 +0200

Hi everybody,

I know that there is no prescribed answer to my question but I'd still like to ask as my computational power is rather limited (running a 24 core Mac)

In calculating free energies of binding (MMPBSA) is it preferable to run a long trajectory or several smaller ones? I'm dealing with a proteins of ~150 residues.

Your experience is valued


AMBER mailing list
Received on Mon Aug 13 2012 - 14:00:04 PDT
Custom Search