Re: Steered MD simulation with pull and rotation

From: Giacomo Fiorin (
Date: Thu Mar 29 2018 - 06:37:55 CDT

Hello Dhiraj, it sounds like you could achieve this with a combination of
the distanceZ and spinAngle collective variables:

with a moving harmonic restraint acting on both.


On Wed, Mar 28, 2018 at 3:23 PM, Dhiraj Srivastava <>

> Hi all
> I want to do simulation of my protein where I want to pull out a
> helix and rotate it simultaneously. is it possible to do it in NAMD or I
> have to do one at a time? also, is there any tutorial or example for such
> kind of simulation, specially both at the same time or rotation?
> Thank you
> Dhiraj

Giacomo Fiorin
Associate Professor of Research, Temple University, Philadelphia, PA
Contractor, National Institutes of Health, Bethesda, MD

This archive was generated by hypermail 2.1.6 : Tue Dec 31 2019 - 23:19:47 CST