[gmx-users] edit dhdl.xvg file
gmx3 at hotmail.com
Mon Mar 4 13:12:20 CET 2019
gmx energy -b -e -odh should extract the xvg file you want from the energy file.
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <gromacs.org_gmx-users-bounces at maillist.sys.kth.se> on behalf of Qasim Pars <qasimpars at gmail.com>
Sent: Friday, March 1, 2019 8:38 PM
To: gmx-users at gromacs.org
Subject: [gmx-users] edit dhdl.xvg file
I am trying to edit the dhdl.xvg files obtained from free energy
calculation but couldn't do it. For instance, is that possible to delete
the last 5 ns from the dhdl.xvg file including the data of 25 ns by using
one of GROMACS tools? If yes, which tool can do this?
Thanks in advance.
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