[gmx-users] coulombic terms clarification
Mala L Radhakrishnan
mradhakr at wellesley.edu
Tue May 28 13:50:05 CEST 2019
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
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?
Mala L. Radhakrishnan
Whitehead Associate Professor of Critical Thought
Associate Professor of Chemistry
106 Central Street
Wellesley, MA 02481
More information about the gromacs.org_gmx-users