We thought that the count of those energies (INTRA+(1/2)INTER) should
correspond to those in "ENERGY CONTRIBUTION BY GROUPS"... But we
concluded that we have specific system (our complex was put in the box
of water), so now we think that the results are good, after all.
However, thank you very much for your answer!
Marina
Citiram "David A. Case" <case.scripps.edu>:
> On Mon, May 19, 2008, Marina Grabar wrote:
>
>> I don't get good results
>> for VdW and EEL interaction energy matrices . Where did I get wrong?
>
> Can you explain exactly what is wrong (or what you think is wrong)
> with the VdW
> and EEL interaction matrices?
>
> ...thanks...dac
>
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--
Marina Grabar, prof.
Institute Rudjer Boskovic
Bijenicka 54
HR-10000, Zagreb
CROATIA
tel +385-1-4561025
fax +385-1-4680245
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Received on Wed May 21 2008 - 06:07:41 PDT
