atom1{} :
Atom type 1 (character data).
atom2{} :
Atom type 2 (character data).
pot_type{lennard-jones,williams,aziz-chen,null} :
Potential type: Williams is an exponential c6-c8-c10. Aziz-chen has
a short range switching function on the vanderwaals part.
min_dist{} :
Minimum interaction distance.
max_dist{} :
Spherical cutoff interaction distance.
res_dist{} :
Respa Spherical cutoff interaction distance.
sig{} :
Lennard-Jones parameter.
eps{} :
Lennard-Jones parameter.
c6{} :
Williams/Aziz-Chen Vdw parameter.
c8{} :
Williams/Aziz-Chen Vdw parameter.
c9{} :
Williams/Aziz-Chen Vdw parameter.
c10{} :
Williams/Aziz-Chen Vdw parameter.
Awill{} :
Williams/Aziz-Chen parameter (
).
Bwill{} :
Williams/Aziz-Chen parameter (
).
Cwill{} :
Williams/Aziz-Chen parameter (
).
rm_swit{} :
Williams/Aziz-Chen parameter controlling Vdw switching
(
).
Abhinav Bhatele
2007-12-05