[gmx-users] pressure scaling more than 1%

abhisek Mondal abhisek.mndl at gmail.com
Fri Apr 28 11:34:30 CEST 2017


I'm following Umbrella sampling tutorial of gromacs. But it was going all
fine since I hit an issue with my system.
I had minimized my system well. But when I started the NPT equilibration it
is giving me: pressure scaling more than 1%
It says, probably the system is not equilibrated/minimized well. But I fail
to understand, minimization finished successfully and I'm doing the
equilibration now.

Can you please help me out here ?

Thank you

Abhisek Mondal

*Senior Research Fellow*

*Structural Biology and Bioinformatics Division*
*CSIR-Indian Institute of Chemical Biology*

*Kolkata 700032*


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