[gmx-users] Umbrella sampling

masoud aliyar masoud.aliyar at gmail.com
Mon Sep 5 09:16:36 CEST 2016

Hi everybody
I’m trying to do Umbrella Sampling by using Justin’s tutorial. Everything
is ok but some aspects of the procedure remain a bit unclear to me. Why
don’t we need to do NVT equilibration before first MD? And why pull codes
are applied during NPT equilibration of selected windows or extracted

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