[gmx-users] pressure scaling more than 1%
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
Can you please help me out here ?
*Senior Research Fellow*
*Structural Biology and Bioinformatics Division*
*CSIR-Indian Institute of Chemical Biology*
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