This is for getting the xvv file of bulk solvent . This file will be used
for 3D RISM calculations. While performing 3D RISM calculations you will
define the box size according to the protein water system. In 1D RISM you
can use nr=16384 and dr=0.025.
On 17 May 2018 18:34, "PRITI ROY" <priitii.roy.gmail.com> wrote:
> Hii Leena,
>
> Thank you for your response.
>
> The simulation box size of my protein water is 120x90x90, that's why I took
> such large no. of grid points. Do I need to increase the steps?
>
> Best,
> Priti
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Received on Thu May 17 2018 - 06:30:03 PDT
