[gmx-users] Use of providing -ix pullx.xvg in WHAM

[Justin Lemkul]

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

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Justin A. Lemkul, Ph.D.
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Virginia Tech Department of Biochemistry

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