Dear all,
is it possible to run an NPT simulation where the periodic box (and thus the
pressure) is allowed to change only in one direction - i.e. along the
Z-axis?
I would like to do that using pmemd.cuda: is it possible? How?
I thank you in advance for your feedback.
Bye
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 Sat Nov 05 2011 - 11:30:03 PDT
