Dear amber users and developers,
I am running MD simulation using amber16 PMEMD.cuda and I need the
pressure tensor components to calculate the viscosity.
I obtained the the mden.out where only 3 values are given for the pressure:
pres_X pres_Y pres_Z
I have two questions:
1- are these parameters the diagonal components of
the pressure tensor (Pxx, Pyy, Pyz)?
2- is there any way to obtain all the components?
Best regards,
Sonata Kvedaraviciute
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Received on Fri Sep 01 2017 - 02:00:03 PDT
