[gmx-users] RDF from NPT simulation?

[Sudip Das]

Dear Justin,

Should I have to use any flag(s) with 'rdf' module to scale the coordinates
for fixing the box size? I didn't find such flag in 'rdf' module.

Please help.

Regards,
Sudip

On Thu, Nov 2, 2017 at 4:41 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 11/2/17 6:39 AM, Sudip Das wrote:
>
>> Dear All,
>>
>> Is it possible to calculate RDF from GROMACS module 'rdf' from a NPT
>> simulation trajectory (where box size changes from frame to frame)?
>>
> Yes.
>
> -Justin
>
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