[gmx-developers] rlist, rcoulomb

Roland Schulz roland at utk.edu
Thu Feb 12 01:19:37 CET 2009


I understand why for cut-off, PME and RF the analytic formular does not work
for rlist>rcoulomb. As Berk pointed out in an earlier Thread this would
require an if statement. But couldn't it also be implemented with a table?
Thus, is there a reason why there is no table based function for these three
methods with F(r)=0 and V(r)=0 for rlist>rcoulomb?


ORNL/UT Center for Molecular Biophysics cmb.ornl.gov
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