Thank for your suggestion.
*With regards,*
*Dulal Mondal,*
*Research Scholar,*
*Department of Chemistry,*
*IIT Kharagpur, Kharagpur 721302.*
On Wed, 4 Jun, 2025, 9:28 pm Timothy Giese, <giese025.rutgers.edu> wrote:
> Some ideas to try...
>
> Add the following to your tleap input
> set default FlexibleWater on
>
> Add the following to the &cntrl section of your mdin file
> jfastw=4
>
>
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Received on Wed Jun 04 2025 - 11:00:02 PDT
