From: Hyonseok Hwang (danggi_at_northwestern.edu)
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
GROMACS.
If anybody knows something about this, please let me know.
Thanks a lot in advance.
-Hyon
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