Using a different potential with NAMD

From: Wade, Alex (
Date: Fri Jun 12 2015 - 09:08:48 CDT


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?

Many Thanks,


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