; topology for 1 alm molecule, 128 popc lipids, water and 1 counter ion
; alm.itp can be made in a straightforward manner with pdb2gmx, starting
; with a pdb file of alamethicin.
; make sure lipid.itp, popc.itp and alm.itp are in a location where
; grompp can find them (GMXLIB, current directory, or directory given in 
; the .mdp file with the include option. 
#include "lipid1.itp"
#include "dspc.itp"

[ moleculetype ]
; molname	nrexcl
SOL		2

[ atoms ]
;   nr   type  resnr residue  atom   cgnr     charge       mass 
     1	   OW	   1	SOL     OW      1      -0.82   15.99940
     2	   HW 	   1	SOL    HW1      1       0.41    1.00800
     3	   HW 	   1	SOL    HW2	1       0.41    1.00800


[ settles ]
; OW	funct	doh	dhh
  1	  1	  0.1	    0.16330

[ exclusions ]
1	2	3
2	1	3
3	1	2

[ system ]
; name
DSPC in water

[ molecules ]
; name	number
 DSP      64
 SOL      1599