[gmx-developers] nrexcl definition

Paul Whitford pwhitfor at ctbp.ucsd.edu
Thu Jan 31 08:09:40 CET 2008

In the cvs version, did the definition of nrexcl change?  I am using a
homemade potential and I have always used nrexcl=3 (with gromacs 3.3.2).  If
I use this same definition with the cvs version, I get errors saying

A list of missing interactions:
n831(0):                LJ-14 of  15302 missing    10680
The first 10 missing interactions, except for exclusions:
n831(0):                LJ-14 atomsn831(0):  2059n831(0):   234n831(0):

When I change nrexcl to 4, the messages go away(I want there to be no LJ-14
interactions, which this seems to do).  I think the definition of nrexcl
changed somewhere, but I haven't seen documentation of it.
 Was there a change, or does it look like I'm doing something incorrectly?

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