[Users-list] How to get ride of the entropic term?

Mohamed Zerara zerara at molcad.de
Tue Nov 28 19:15:58 CET 2006


Dear all,

According to GRID documentation, it seems
that the total interaction potential energy of a probe
with the target molecule (since version 14) is given by:

EXYZ = Sum[ELJ] + Sum[EHB] + Sum[EQ] + [S]

I would like to know if it is possible to omit the entropic
part ([S] term) in this calculation. If yes, how can I do it from
GREATER interface?

Thank you in advance



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