*> CHARMM22 All-Hydrogen Topology File for Proteins and Lipids <<
*>>>>>> Includes phi, psi cross term map (CMAP) correction <<<<<<
*>>>>>>>>>>>>>>>>>>>>>>   July 2004    <<<<<<<<<<<<<<<<<<<<<<<<<<
* All comments to ADM jr. via the CHARMM web site: www.charmm.org
*               parameter set discussion forum
*
31  1

MASS     1 HW     01.00800 H  ! water H
MASS     2 OW     15.99940 O  ! water O
MASS     3 C      28.08000 C  ! graphene C
MASS     4 Ar     39.94800 Ar ! argon

RESI SOL         0.000 ! spce water model, generate using noangle nodihedral
GROUP
ATOM OW   OW     -0.8476
ATOM HW1  HW      0.4238
ATOM HW2  HW      0.4238
BOND OW HW1 OW HW2
!HW1 HW2   ! the last bond is needed for shake
ANGLE HW1 OW HW2            ! required
ACCEPTOR OW
PATCHING FIRS NONE LAST NONE

RESI GRA          0.00 ! Graphene Carbon
GROUP
ATOM C  C     0.00
PATCHING FIRST NONE LAST NONE

RESI Ar          0.00 ! Graphene Carbon
GROUP
ATOM Ar  Ar       0.00
PATCHING FIRST NONE LAST NONE