From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Fri Jun 12 2015 - 09:39:47 CDT
On Fri, Jun 12, 2015 at 10:08 AM, Wade, Alex <alex.wade_at_kcl.ac.uk> wrote:
> Trying to replace Lennard Jones potential in NAMD,only for a TIP3P
> simulation, with a Buckingham potential. Think I have narrowed the LJ
> calculation down to ComputeNonbondedBase.h or ComputeNonbondedBase2.h. Which
> lines specifically should be modified?
please consider the following rule of the thumb: if you have to ask
which lines to change, then you should not change the source.
> Many Thanks,
-- Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0 College of Science & Technology, Temple University, Philadelphia PA, USA International Centre for Theoretical Physics, Trieste. Italy.
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