AMBER Archive (2009)

Subject: [AMBER] pulling two atoms in SMD

From: Santosh Mogurampelly (santosh_at_physics.iisc.ernet.in)
Date: Tue Jul 28 2009 - 07:10:12 CDT

Dear Amber users,

I am using steered molecular dynamics (SMD) to pull my molecule. This
pulls only one atom and one atom being fixed. I want to pull two atoms and
keep two atoms fixed. I do not have any idea as to how to implement two
atom pulling in SMD ?

Any help would be highly appreciated.

Santosh Mogurampelly

_____________________________________________________________________________
                             Be Cool Be Happy
_____________________________________________________________________________

Santosh Mogurampelly, Ph : 091 80 2293 3391 (ext 28)
Centre for Condensed Matter Theory (CCMT),
Department of Physics,
Indian Institute of Science,
Bangalore 560 012. http://www.physics.iisc.ernet.in/~santosh/
_____________________________________________________________________________ 

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