Fix load_lj_pair_params2 for MIC
[alexxy/gromacs.git] / share / top / encads.ff / atomtypes.atp
1     H           1.008           ; Hydrogen bound to carbon      
2     O           15.9994         ; Oxygen
3     N           14.0067         ; Trivalent nitrogen 
4    N1           14.0067         ; Trivalent nitrogen
5    N2           14.0067         ; Trivalent nitrogen
6    C1           12.011          ; Aliphatic carbon
7    C2           12.011          ; Aliphatic carbon     
8    C3           12.011          ; Aliphatic carbon
9    CP           12.011          ; Aliphatic carbon
10    A6           12.011          ; Aromatic carbon
11    A5           12.011          ; Aromatic carbon
12    A7           12.011          ; Aromatic carbon
13    Aprime               12.011          ; Aromatic carbon
14    Abis         12.011          ; Aromatic carbon
15    L5           14.0067         ; Acceptor nitrogen
16    L6           14.0067         ; Acceptor nitrogen
17     P           30.9738         ; Phosphorus
18    OH           15.9994         ; Divalent oxygen
19    O2           15.9994         ; Divalent oxygen
20    OR           15.9994         ; Divalent oxygen
21     S           32.060          ; Sulphur not bound to hydrogen
22    SH           32.060          ; Sulphur with bound hydrogen
23    M1           14.0067         ; Charged nitrogen
24    M2           14.0067         ; Charged nitrogen
25    M3           14.0067         ; Charged nitrogen
26    HN           1.008           ; Polar hydrogen
27    HO           1.008           ; Polar hydrogen
28    HW           1.008           ; Water hydrogen
29    CL           35.453          ; Chloride ion
30    Obis         15.9994         ; Charged oxygen
31    OP           15.9994         ; Charged oxygen
32     R           14.0067         ; Heme nitrogen
33     W           14.0067         ; Heme nitrogen
34     Y           12.011          ; Heme carbon
35     Z           12.011          ; Heme carbon
36    FE           55.847          ; Heme Iron
37    OF           15.9994         ; Heme oxygen
38    OW           15.9994         ; Water oxygen
39    AR           39.948          ; Argon
40    NA           22.9898         ; Sodium
41  MCH3           0               ; Dummy 
42  MNH3           0               ; Dummy
43    MW           0               ; Dummy