now Nose-Hoover variables are written to mdebin only if GMX_NOSEHOOVER_CHAINS is...
[gromacs/rigid-bodies.git] / share / top / ffencadv-c.tdb
blobb60855dbaa400e6b362b4a495ca5535256a02518
1 [ None ]
3 [ COO- ]
4 [ replace ]
5 C               Abis    12.011  0.64
6 [ add ]
7 2       8       O       C       CA      N
8         Obis    15.9994 -0.42
9 [ delete ]
11 [ dihedrals ]
12 N       CA      C       O2      
13 [ impropers ]
14 CA      O2      C       O1      improper_X_X_A_X
15 N       C       CA      CB      improper_X_X_C_X
17 [ COOH ]
18 [ replace ]
19 C               Aprime  12.011  0.38
20 O               OH      15.9994 -0.38
21 [ add ]
22 1       2       OT      C       CA      N
23         O       15.9994 -0.433
24 1       2       HO      O       C       CA
25         HO      1.008   0.433
26 [ dihedrals ]
27 N       CA      C       O1      
28 [ impropers ]
29 O2      CA      C       O1      improper_X_X_A_X