examples/adress/fadress_protein/spce.itp
; ********************************************************************
; * The original ffamber ports were written by Eric J. Sorin, *
; * CSU Long Beach, Dept. of Chem & Biochem, and have now been *
; * integrated with the standard gromacs distribution. *
; * (Please don't blame Eric for errors we might have introduced.) *
; * For the implementation/validation, please read/cite: *
; * Sorin & Pande (2005). Biophys. J. 88(4), 2472-2493. *
; * For related material and updates, please consult *
; * http://chemistry.csulb.edu/ffamber/ *
; ********************************************************************
[ moleculetype ]
; molname nrexcl
SOL 2
[ atoms ]
; id at type res nr res name at name cg nr charge mass
1 OW_spc 1 SOL OW 1 -0.8476 15.99940
2 HW_spc 1 SOL HW1 1 0.4238 1.00800
3 HW_spc 1 SOL HW2 1 0.4238 1.00800
[ 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