Pulling atoms in different directions

From: Rahul Bhowmik (bhowmikrahul_at_gmail.com)
Date: Sun Mar 29 2009 - 15:59:01 CDT

Hi All;

I have two Self Assembled Monolayer (SAM) surfaces facing each other with
water molecules in between them. Is it possible to pull the two surfaces in
different direction (say, the top surface is pulled in +x direction and the
bottom surface along -x direction). I can pulled the one layer (say top SAM
surface along +x direction) with the following parameters for SMD in
configuration file:

SMD on
SMDk 5
SMDFile smd_vel.pdb
SMDVel 1
SMDDir 1 0 0
SMDOutputFreq 100

Here; the atoms which is being pulled is represented as 1 in O column of
smd_vel.pdb file.

How to pull the bottom layer with the same velocity but opposite in
direction (SMDDir -1 0 0).

Any help regarding this will be highly appreciated.

Thank you

Rahul Bhowmik

Research Associate
Department of Chemical Engineering
University of Washington
Phone: (206) 616-6510
Email: bhowmikrahul_at_gmail.com

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