[gmx-users] Pressure Fluactiation

ali akgün ali.akgunphys at gmail.com
Wed Nov 22 21:59:25 CET 2017

Hİ all,

 I ran simulation of pvdf(ligand) in solution. My problem is pressure
fluctuation, My system's pressure fluctuated around reference pressure and
average pressure is not equal to my reference pressure. I did well
minimisation and nvt run for system before npt run. What should i do about
average pressure and reference pressure non-equality? I want to control
system pressure because I research about pressure depended potential across
the box behavour of the pvdf.

Thank you.

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