Thank you for your response. It works.
*With regards,*
*Dulal Mondal,*
*Research Scholar,*
*Department of Chemistry,*
*IIT Kharagpur, Kharagpur 721302.*
On Wed, 4 Jun, 2025, 11:13 pm Dulal Mondal, <
babunmondal.chem.kgpian.iitkgp.ac.in> wrote:
> 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 Thu Jun 05 2025 - 00:00:02 PDT
