[gmx-users] coulombic terms clarification

[Mala L Radhakrishnan]

Hi all,

A quick question --  I just wanted to double check that the Coulomb-SR term
does NOT include the Coulomb-14 term.    (To me, the "SR" label is somewhat
misleading as it makes me think that it includes "everything" short
ranged).

In other words, if one wishes to know the total Coulombic energy within a
cutoff or switching distance, one would need to ADD the 14 and SR terms.
Is this correct?

Thanks,

M

-- 
Mala L. Radhakrishnan
Whitehead Associate Professor of Critical Thought
Associate Professor of Chemistry
Wellesley College
106 Central Street
Wellesley, MA 02481
(781)283-2981