question on the format of adding Lennard-Jones parameters

From: Hyonseok Hwang (
Date: Thu Jan 19 2006 - 19:06:54 CST

Dear all,

I know that the standard format of adding new LJ parameters in NAMD is :

atom ignored epsilon Rmin/2 ignored eps,1-4 Rmin/2,1-4
C 0.000000 -0.110000 2.000000 ! ALLOW PEP POL ARO

My question is whether there is another format of adding LJ parameters
like this in NAMD:

atom1 atom2 epsilon Rmin
C1 C2 -0.123 3.000
C1 H1 -0.012 2.500

I suppose that this is similar to the way of adding LJ parameters in

If anybody knows something about this, please let me know.
Thanks a lot in advance.


This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:41:32 CST