Then why during heating and equilibration why not during production run?
And during heating at one side we are heating the ststem and another we
restraint i. e. we are heating the stem as well as restraing its velosity will
it not affect the system energy or conformation very much?
> Instabilities are more likely due to the way constant pH works. Charges on
> titratable residues abruptly change when a protonation change is accepted,
> which can exacerbate a slightly unfavorable structure.
>
> On Wed, Jun 23, 2010 at 10:39 AM, Sangita Kachhap <sangita.imtech.res.in>wrote:
>
>>
>> Hello all
>>
>> Why restraint is used during heating process in case of constant pH
>> simulation?
>>
>> With regard
>> Sangita Kachhap
>> JRF
>> BIC,IMTECH
>> CHANDIGARH
>>
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>>
>
>
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Graduate Student
> 352-392-4032
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>
>
Sangita Kachhap
JRF
BIC,IMTECH
CHANDIGARH
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Received on Wed Jun 23 2010 - 10:00:08 PDT
