* Toplogy and parameter information for helium, neon and a dummy atom.
*

!Testcase
!test_dum_nobel_gases.inp

!test "append" to determine if previous	toppar files have been read and
!add append to "read rtf card" if true
!set nat ?NATC
!set app
!We're exploiting what is arguably a bug in the parser. On the left hand side,
!the quotes have proirity, so NAT is correctly substituted. On the right hand
!side, the ? has priority and NATC" (sic) is not a valid substitution...
!if "@NAT" ne "?NATC" if @nat ne 0 set app append

!read rtf card @app
read rtf card append
* Topology for helium, neon and a dummy atom.
*
31  1

MASS  -1  HE         4.00260 ! helium
MASS  -1  NE        20.17970 ! neon
MASS  -1  DUM        0.00000 ! dummy atom

RESI HE1       0.00 ! helium
GROUP
ATOM HE01  HE  0.00
PATCHING FIRST NONE LAST NONE

RESI NE1       0.00 ! neon
GROUP
ATOM NE01  NE  0.00
PATCHING FIRST NONE LAST NONE

RESI DUM       0.00 ! DUMMY ATOM
GROUP
ATOM DUM DUM   0.00
PATCHING FIRST NONE LAST NONE

end

!read para card flex @app
read para card flex append
* Parameters for helium, neon and a dummy atom.
*

ATOMS
MASS  -1  HE         4.00260 ! helium
MASS  -1  NE        20.17970 ! neon
MASS  -1  DUM        0.00000 ! dummy atom

NONBONDED nbxmod  5 atom cdiel fshift vatom vdistance vfswitch -
cutnb 14.0 ctofnb 12.0 ctonnb 10.0 eps 1.0 e14fac 1.0 wmin 1.5

DUM    0.000000  -0.000000     0.000000
HE     0.000000  -0.021270     1.480000
NE     0.000000  -0.085450     1.530000

end

return


