The Delta S value reported in the output file of MMPBSA is already
multiplied by temperature.
-Bill
On Tue, Nov 8, 2011 at 4:05 AM, Sangita Kachhap <sangita.imtech.res.in>wrote:
>
> Its entropy calclulated in MMPBSA.
>
> > The nmode program, or specifically in MMPBSA of some kind?
> >
> > 2011/11/8 Sangita Kachhap <sangita.imtech.res.in>
> >
> >>
> >> Hello all
> >> I have one cuery regarding entropy calclulation by NMODE.
> >>
> >> Is DELTA S calulated by NMODE already multiplied with Temeprature in
> >> output file?
> >>
> >> Sangita Kachhap
> >> JRF
> >> BIC,IMTECH
> >> CHANDIGARH
> >>
> >> ______________________________________________________________________
> >> सूक्ष्मजीव प्रौद्योगिकी संस्थान (वैज्ञानिक औद्योगिक अनुसंधान परिषद)
> >> Institute of Microbial Technology (A CONSTITUENT ESTABLISHMENT OF CSIR)
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> >>
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> >
> >
> >
> > --
> > Jason M. Swails
> > Quantum Theory Project,
> > University of Florida
> > Ph.D. Candidate
> > 352-392-4032
> > _______________________________________________
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> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
> Sangita Kachhap
> JRF
> BIC,IMTECH
> CHANDIGARH
>
> ______________________________________________________________________
> सूक्ष्मजीव प्रौद्योगिकी संस्थान (वैज्ञानिक औद्योगिक अनुसंधान परिषद)
> Institute of Microbial Technology (A CONSTITUENT ESTABLISHMENT OF CSIR)
> सैक्टर 39 ए, चण्डीगढ़ / Sector 39-A, Chandigarh
> पिन कोड/PIN CODE :160036
> दूरभाष/EPABX :0172 6665 201-202
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Bill Miller III
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-6715
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Received on Tue Nov 08 2011 - 04:30:02 PST
