[gmx-users] Use of providing -ix pullx.xvg in WHAM
jalemkul at vt.edu
Fri Aug 18 18:59:04 CEST 2017
On 8/17/17 9:38 AM, jay patil wrote:
> Hello Experts,
> What property we can calculate by providing -ix pullx.xvg through gmx WHAM command. Like -if pullf.xvg can give PMF.
You get a PMF. There are just two different ways to get it, but that's
all gmx wham does.
> Is there way to calculate diffusivity using WHAM command or any other command.
Look at gmx msd.
Justin A. Lemkul, Ph.D.
Virginia Tech Department of Biochemistry
303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061
jalemkul at vt.edu | (540) 231-3129
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