[gmx-users] accessing pressure components from trajectory file

Aishwary Shivgan aishwaryshivgan55 at gmail.com
Tue Sep 1 19:48:27 CEST 2015


Hi gromacs users,
           I want to get pressure data from trajectory file from each
frame. g_energy gives me only averaged values at each frame but I want Pxy,
Pxx, Pxz and all such pressure components at each frame to calculated
viscosity using green-kubo method.
Is there way to direct way to get them instead of writing code for it?

Thank you,
Aishwary Shivgan


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