Methane Methane   NCOUL  BASIC  LJ  FAST
Methane Methane   COUL   OFF

Methane IRMOF1    NCOUL  MAP@IRMOF1 FAST Methane@PMAP@IRMOF1.CH4.UFF.pmap   
Methane IRMOF1    COUL   OFF

IRMOF1 IRMOF1 NCOUL OFF
IRMOF1 IRMOF1 COUL OFF