1#include "oplsaa.ff/forcefield.itp"
2
3[ atomtypes ]
4;name  at.num      mass        charge   ptype       sigma        epsilon
5  CH4    0          0.0        0.000       A        0.371        1.26
6
7#include "oplsaa.ff/spce.itp"
8
9[ moleculetype ]
10; Name            nrexcl
11 methane          3
12
13[ atoms ]
14;   nr       type  resnr residue  atom   cgnr     charge       mass
15     1   opls_138      1    METH     C      1      -0.24     12.011
16     2   opls_140      1    METH    H1      1       0.06      1.008
17     3   opls_140      1    METH    H2      1       0.06      1.008
18     4   opls_140      1    METH    H3      1       0.06      1.008
19     5   opls_140      1    METH    H4      1       0.06      1.008
20
21[ bonds ]
22;  ai    aj funct            c0            c1            c2            c3
23    1     2     1
24    1     3     1
25    1     4     1
26    1     5     1
27
28[ system ]
29Water and methane
30
31[ molecules ]
32SOL     216
33methane   1
34