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Tutorial-l Mailing List

From: suneyna bansal (suneyna.bansal_at_gmail.com)
Date: Thu May 13 2010 - 05:07:55 CDT

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Dear Sir,

I am doing MD simulations using NPAT ensemble of homogenous lipid bilayer
(DPPC).
During equilibriation, to apply constant pressure condition we applied
langevin piston dynamics

But instead of 1.013barr, we are always getting negative pressure values
and also, average pressure came out to be 0.

Could you please suggest me some way.

-- 
With Best Regards,
Suneyna Bansal
PhD Scholar
School of Biological Sciences
Indian Institute of Technology, Delhi
Hauz Khaas, New Delhi-16
9211609904
http://www.iitd.ac.in/bioschool.html
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• Next message: Bharath Rajeswaran: "Re.PSF file in VMD"
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