about NAMD nonbonded routines

From:  (tomohiro-adachi_at_aist.go.jp)
Date: Tue Feb 23 2010 - 02:55:29 CST

Dear all,

Could you teach us about nonbonded routine.
I would like to know how to add new potentials to NAMD.

The potentials is like Lennard-Jones potential, so I saw some
source codes (LJTable.C, Paramteter.C, ComputeNonbondedUnit.C, etc)

but the place actually calculated by using the parameter of the
Lennard-Jones potential made a table is not understood.

I search this answer on NAMD-L mailing list, then I looked at the
following page. but, the answer seems not to have gone out yet.
http://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l/6282.html

Thank you,

adachi

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:55:29 CST