SPCE Water

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Water PDB
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SPCE Water ITP/TOP
[ moleculetype ] ; molname	nrexcl SOL		2 [ atoms ] ;  nr   type  resnr residue  atom   cgnr     charge       mass 1	  OW	   1	SOL     OW      1    -0.8476 2	  HW	   1	SOL    HW1      1     0.4238 3	  HW	   1	SOL    HW2	1     0.4238 1	  OW	   1	SOL     OW      1    -0.8476    9.95140 2	   H 	   1	SOL    HW1      1     0.4238    4.03200 3	   H 	   1	SOL    HW2	1     0.4238    4.03200 1	  OW	   1	SOL     OW      1    -0.8476   15.99940 2	   H 	   1	SOL    HW1      1     0.4238    1.00800 3	   H 	   1	SOL    HW2	1     0.4238    1.00800 1	opls_116  1	SOL     OW      1      -0.8476 2	opls_117  1	SOL    HW1      1       0.4238 3	opls_117  1	SOL    HW2	1       0.4238 [ bonds ] ; i	j	funct	length	force.c. 1	2	1	0.1	345000	0.1    345000 1	3	1	0.1	345000	0.1    345000 [ angles ] ; i	j	k	funct	angle	force.c. 2	1	3	1	109.47	383	109.47	383 [ settles ] ; OW	funct	doh	dhh 1	1	0.1	0.16330 [ exclusions ] 1	2	3 2	1	3 3	1	2
 * 1) ifdef _FF_GROMACS
 * 1) endif
 * 2) ifdef _FF_GROMOS96
 * 3) ifdef HEAVY_H
 * 1) else
 * 1) endif
 * 2) endif
 * 3) ifdef _FF_OPLS
 * 1) endif
 * 1) ifdef FLEXIBLE
 * 1) else
 * 1) endif