[gmx-users] Pressure problem in EM simulation

Mishelle Oña samimishu at hotmail.com
Sun Mar 19 02:00:23 CET 2017


I have a question about pressure in EM simulation. I am using Steepest descent method in a water polymer system. My pressure gets this value:

Energy                      Average   Err.Est.       RMSD  Tot-Drift
Pressure                   -2843.38         65    162.655   -446.059  (bar)

The pressure value is very weird. Is this normal? or I am doing something wrong?

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