Dear all,
I wanted just to know if it is possible, and how, to conduct an NPT
simulation maintaining box dimensions constant along X and Y direction,
And allowing box variation along Z axis only.
Is it possible to run such a calculation using pmemd? And pmemd.cuda?
Thanks a lot in advance for your support.
Any suggestion is more than welcome.
Best,
Giovanni
Dr. Giovanni Maria Pavan
SUPSI - Laboratory of Applied Mathematics and Physics (LaMFI)
Centro Galleria 2, Manno 6928, Switzerland.
e-mail: giovanni.pavan.supsi.ch
skype: giovanni_pavan
phone: +41 58 666 65 60
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Received on Fri Nov 04 2011 - 08:30:06 PDT
