[gmx-users] Pressure problem in EM simulation
Mishelle Oña
samimishu at hotmail.com
Sun Mar 19 02:00:23 CET 2017
Hello!
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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