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

[jay patil]

Thanks Justin.

Yogesh

> On 18-Aug-2017, at 10:28 PM, Justin Lemkul <jalemkul at vt.edu> wrote:
> 
> 
> 
>> 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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