From: Sruthi Sundaresan (bo20resch11002_at_iith.ac.in)
Date: Thu May 12 2022 - 00:08:42 CDT
Dear Users,
I would like to know how to apply pressure on a membrane protein in one
direction. I am running the simulations on NAMD3.0 and used the following
lines in the input files to apply pressure:
*useConstantArea yes;*
*SurfaceTensionTarget 0.0;*
*langevinPiston on;*
*langevinPistonTarget 4000.00;*
*langevinPistonPeriod 100.0;*
*langevinPistonDecay 50.0;*
The above lines help to apply pressure on the z-axis alone while keeping
the area of the x-y plane constant.
However, I'd like to know how to apply pressure selectively in one
direction alone (either +z or -z) and if there's any way by which I can
apply pressure to a certain predefined plane alone or set of atoms.
Thanks and regards,
Sruthi Sundaresan
Ph.D. Research Scholar
C/o Dr. Thenmalarchelvi Rathinavelan
Molecular Biophysics Lab, Department of Biotechnology
<https://urldefense.com/v3/__https://www.iith.ac.in/*tr/Home.html__;fg!!DZ3fjg!8Yq32Y9tumEvFF5hsp1Ux2ge91-dRl8CGnvJ4_K0R35Skzcfmye1M6Q5o1zdnKWsPHnD2V3J95oifkOolanli7SDABSjUw$ >
<https://urldefense.com/v3/__https://www.linkedin.com/in/sruthisundaresan/__;!!DZ3fjg!8Yq32Y9tumEvFF5hsp1Ux2ge91-dRl8CGnvJ4_K0R35Skzcfmye1M6Q5o1zdnKWsPHnD2V3J95oifkOolanli7Snfz63EA$ >
<https://urldefense.com/v3/__https://twitter.com/MBL_IITH__;!!DZ3fjg!8Yq32Y9tumEvFF5hsp1Ux2ge91-dRl8CGnvJ4_K0R35Skzcfmye1M6Q5o1zdnKWsPHnD2V3J95oifkOolanli7R7YCrAMw$ >
-- Disclaimer:- This footer text is to convey that this email is sent by one of the users of IITH. So, do not mark it as SPAM.
This archive was generated by hypermail 2.1.6 : Tue Dec 13 2022 - 14:32:44 CST