Many thanks Dave!
> On Sun, Sep 03, 2006, Franck_Vendeix.ncsu.edu wrote:
>>
>> I read the section about thermodynamic integration
>> method found in the Amber9 manual (page 153 of the hard copy) and since
>> the numbering of the equations found in the text does not correspond to
>> the actual numbering of the described equations, I am kind of confused.
>
> Thanks for the report; I have updated the erratum sheet to the Amber
> Users'
> Manual (see the Amber web page) to correct this.
>
> Note that the manual is necessarily quite terse. It points to several
> papers
> that give more details on the method
>
>> What is the procedure to be followed to carry out the three-point
>> Gaussian
>> integration?
>
> Please see Eq. (6.20) and the paragraph that follows it.
>
> ...good luck...dac
>
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber.scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
>
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Sep 06 2006 - 06:07:07 PDT
