Thank you Bill
But Arg220-220 interaction (3.31 kcal/mol) is made of 2.79 (polar salvation) + 0.52 (non-polar salvation).
Still a bit perplexed.
George
> On 04 May 2016, at 21:36, Bill Ross <ross.cgl.ucsf.edu> wrote:
>
> I'm guessing the electrostatics are due to Ewald summation (long-range effects between the residue and its infinite images).
>
> Bill
>
> Resid 1
> Resid 2
> Internal
> van der Waals
> Electrostatic
> Polar Solvation
> Non-Polar Solv.
>
>> ARG 220
>> ARG 220
>> 0.00
>> 0.00
>> 0.00
>> 2.79
>> 0.52
>> 3.31
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed May 04 2016 - 13:00:06 PDT
