oopse-1.0/forceFields/LJFF.frc

! This is the forcefield file for the Lennard-Jones Force Field (LJFF).
! There is only a section for AtomTypes in this FF
!
! Data is from Table 1.1 in Allen & Tildesley's book

#AtomTypes
!Atom   mass            LJ epsilon (kcal/mol)   LJ sigma (Angstroms)

H       1.00794         0.017090056482          2.81
He      4.002602        0.020269601874          2.28
C       12.0107         0.101745452544          3.35
N       14.00674        0.074123151951          3.31
O       15.9994         0.122412497592          2.95
F       18.9984032      0.104924997936          2.83
Ne      20.1797         0.09339914589           2.72
S       32.066          0.36366050421           3.52
Cl      35.4527         0.344781953445          3.35
Ar      39.948          0.238068461226          3.41
Br      79.904          0.511111921764          3.54
Kr      83.80           0.32590340268           3.83
Revision:	1447
Committed:	Fri Jul 30 21:01:35 2004 UTC (21 years, 3 months ago) by gezelter
File size:	630 byte(s)
Log Message:	Initial import of OOPSE sources into cvs tree
#	Content
1	! This is the forcefield file for the Lennard-Jones Force Field (LJFF).
2	! There is only a section for AtomTypes in this FF
3	!
4	! Data is from Table 1.1 in Allen & Tildesley's book
5
6	#AtomTypes
7	!Atom mass LJ epsilon (kcal/mol) LJ sigma (Angstroms)
8
9	H 1.00794 0.017090056482 2.81
10	He 4.002602 0.020269601874 2.28
11	C 12.0107 0.101745452544 3.35
12	N 14.00674 0.074123151951 3.31
13	O 15.9994 0.122412497592 2.95
14	F 18.9984032 0.104924997936 2.83
15	Ne 20.1797 0.09339914589 2.72
16	S 32.066 0.36366050421 3.52
17	Cl 35.4527 0.344781953445 3.35
18	Ar 39.948 0.238068461226 3.41
19	Br 79.904 0.511111921764 3.54
20	Kr 83.80 0.32590340268 3.83