# LFMM parameters for AMBER94
#
# Developed by the Inorganic Computational Chemistry Group (ICCG), 
# Robert J. Deeth (rjd), Natalie Fey (nf), David L. Foulis (dlf),
# Benjamin J. Williams-Hubbard (bjwh), 
# Chemistry Department, University of Warwick, UK-CV4 7AL
#
#
# Make sure to use same parameter types as force field!
# If there are two entries for the same parameter, only the first will be read.
#
#
# NOTE: end each parameter group on %

#title 'LFMM'

[harmonic] 
#T1	T2	dist	k2
M	*	2.000	 30.0
M+1	*	2.000	 30.0
M+2	*	2.000	 30.0
M+3	*	2.000	 30.0
M+4	*	2.000	 30.0
M+5	*	2.000	 30.0
M+6	*	2.000	 30.0
M+7	*	2.000	 30.0
*	*	2.000	 20.0
Cu+2	NB	2.050		 60.0
Cu+2	SX	2.000		 70.0
Cu+2	S	2.100		 50.0
%

[Morse] 
#T1	T2	dist	D	a
Cu+2	NB	2.050		 60.0		1.20		0.0	0.0
Cu+2	SX	2.100		 70.0		1.30		0.0	0.0
Cu+2	S	1.800		 50.0		0.50		0.0	0.0
%

[vdW]
#M	L	A	B
Cu+2	NB	10000    500
Cu+2	SX	10000    500
Cu+2	S	10000    500
%

[ll]
#M	L	rep	n
Cu+2	NB	2500	6
Cu+2	SX	3500	4
Cu+2	S	900	4
%

[esig] 
#M	L	esig0	esig1	esig2	esig3	esig4	esig5	esig6
Cu+2	NB	0	0	0	0	102000	0	0
Cu+2	SX	0	0	0	65600	0	0	0
Cu+2	S	0	0	23500	0	0	0	0
%

[epix] 
#M	L	epix0	epix1	epix2	epix3	epix4	epix5	epix6
Cu+2	NB	0	0	0	0	0	0	0
Cu+2	SX	0	0	0	0	0	57900	0
Cu+2	S	0	0	0	0	0	0	0
%

[epiy] 
#M	L	epiy0	epiy1	epiy2	epiy3	epiy4	epiy5	epiy6
Cu+2	NB	0	0	0	0	16000	0	0
Cu+2	SX	0	0	0	0	0	57900	0
Cu+2	S	0	0	0	0	0	57900	0
%

[exds] 
#M	L	exds0	exds1	exds2	exds3	exds4	exds5	exds6
Cu+2	NB	0	0	0	0	0	0	137000
Cu+2	SX	0	0	0	0	0	0	222000
Cu+2	S	0	0	0	0	0	0	222000
%

[pair]
#M	L	P0	P1	P2	P3	P4	P5	P6
*	*	0	0	0	0	0	0	0
%