[gmx-users] edit dhdl.xvg file
qasimpars at gmail.com
Fri Mar 1 20:43:40 CET 2019
No, I won't use gmx bar.
On Fri, 1 Mar 2019 at 22:40, Justin Lemkul <jalemkul at vt.edu> wrote:
> On 3/1/19 2:38 PM, Qasim Pars wrote:
> > Dear users,
> > 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?
> If you're using gmx bar, just use -b and -e appropriately (like any
> GROMACS analysis program).
> Justin A. Lemkul, Ph.D.
> Assistant Professor
> Office: 301 Fralin Hall
> Lab: 303 Engel Hall
> Virginia Tech Department of Biochemistry
> 340 West Campus Dr.
> Blacksburg, VA 24061
> jalemkul at vt.edu | (540) 231-3129
> Gromacs Users mailing list
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
More information about the gromacs.org_gmx-users