[gmx-users] pressure coupling and running MD

ninoo mani ninoomani at yahoo.co.in
Fri Feb 10 09:20:40 CET 2006

Dear gmx users
I want to study domain movement in proteins using.
I want to know whether I should use pressure coupling
along with temperature coupling or not. As some of you
mentioned before if I couple pressure volume will
change to adjust pressure (NPT) but if I do not couple
pressure volume will remain constant and pressure will
change (NVT). Since I want to study domain motion
which one would be better although I do not think for
this study it should make much of difference. I it
does not make difference which condition imposed more
thanking in advance.

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