I am doing some particular work about biological solvated molecules
exposed to external fields, static and dinamic, in order to comprehend
the mechanism of interaction, specifically the belated complexation of
protoporphirin IX with metallic ions due to an external microwave field.
G94 does not provide either any procedure for dynamic external field, nor
does G98: besides my molecular system's dimensions does not allow any
calculation
with the solvent (PCM model) within reasonable time, neither does it neglecting
sidechains or substituing them by hydrogens. Has anyone worked with G94
implemented PCM model, or ever considered external fields, static and dinamic?
Can anyone point to some references? Any suggestion will be appreciated
and I willl summarize it.
Daniele Spera
-- _____________ Daniele Spera Universita' di Roma "La Sapienza", Italy E-mail: daniele at.at bioem.ing.uniroma1.it