Dear Dr. Case,
If we use quasi-harmonic approximations instead of normal mode analysis,
then the decomposition is possible. Or not?
Balazs
The calculations appli
On 06/24/2011 07:43 PM, Daniel Aiello wrote:
> Thanks.
> On Jun 24, 2011, at 11:57 AM, David A. Case wrote:
>
>> On Fri, Jun 24, 2011, Daniel Aiello wrote:
>>
>>> Does Amber10 have a built in method for decomposing entropic components
>>> on a per residue or pair-wise residue basis? Thanks,
>> No. For biomolecules, the main contributions to entropy come from
>> low-frequency, collective motions that are not associated with any particular
>> residue.
>>
>> ....dac
>>
>>
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Balazs Jojart, Ph.D.
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Received on Fri Jun 24 2011 - 14:00:06 PDT
