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! 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 |
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|
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#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 |