On Nov 22, 2013 5:58 PM, rajat desikan rajatdesi...@gmail.com wrote:
Hi Mark,
Thanks for the answer. I have a few doubts.
1) The whole potential is shifted by the value that it would otherwise
have had at the cut-off. Doesn't this reduce the well-depth/epsilon for
the LJ potential (same
Hi Mark,
Thanks for the answer. I have a few doubts.
1) The whole potential is shifted by the value that it would otherwise
have had at the cut-off. Doesn't this reduce the well-depth/epsilon for
the LJ potential (same artifact as shifted LJ)? Will the long range
corrections/DispCorr correct for