[gmx-users] edit dhdl.xvg file
jalemkul at vt.edu
Fri Mar 1 20:45:40 CET 2019
On 3/1/19 2:43 PM, Qasim Pars wrote:
> No, I won't use gmx bar.
It's trivial to delete lines using a text editor, but always keep a
backup, or otherwise instruct whatever analysis program you're using to
consider only the range of time you want, as GROMACS would do with -b
> 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
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Justin A. Lemkul, Ph.D.
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
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