[AMBER] SMD in Amber10

From: Dmitri Nilov <nilovdm.gmail.com>
Date: Thu, 12 Mar 2009 21:12:13 +0300

Is there facility to pull ligand from active site in Amber10?
I mean steered molecular dynamics when external harmonic force is applied,
in other words a "spring" connected
to ligand is retracted in certain direction with constant velocity.
I can`t get clear answer from Manual and mailing list. Could you help me?

Dmitri Nilov,
Lomonosov Moscow State University
AMBER mailing list
Received on Fri Mar 13 2009 - 01:26:17 PDT
Custom Search