From: Geist, Norman (norman.geist_at_uni-greifswald.de)
Date: Sat May 28 2022 - 02:19:50 CDT
I have answered this before. In a periodic cell there is no such
direction. Have you considered flipping the sign of
langevinpistontarget?
Bests
Norman Geist
Am Samstag, den 28-05-2022 um 08:38 schrieb Sruthi Sundaresan:
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;
useflexiblecell 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.
My system seems to get compressed along the z-axis, however, I'd like
to know how to apply pressure selectively in one direction alone
(either +z or -z).
Thanks and regards,
[1]
Sruthi Sundaresan
Ph.D. Research Scholar
C/o Dr. Thenmalarchelvi Rathinavelan
Molecular Biophysics Lab, Department of Biotechnology
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