/*
* 5 April 2002
* Definitions of pieces of array for ContactEFunction.
* rcsid = $Id: cp_cc_allat+0.h,v 1.1 2007/09/28 16:57:11 mmundry Exp $
*/
#ifndef CP_ALLAT_H
#define CP_ALLAT_H
enum { NR_PARAM = 996 };
enum {
START1__N__N = 0,
START1__N_CA = 1,
START1__N_CB = 2,
START1__N__C = 23,
START1__N__O = 24,
START1_CA__N = START1__N_CA,
START1_CA_CA = 25,
START1_CA_CB = 26,
START1_CA__C = 47,
START1_CA__O = 48,
START1_CB__N = START1__N_CB,
START1_CB_CA = START1_CA_CB,
START1_CB_CB = 49,
START1_CB__C = 280,
START1_CB__O = 301,
START1__C__N = START1__N__C,
START1__C_CA = START1_CA__C,
START1__C_CB = START1_CB__C,
START1__C__C = 322,
START1__C__O = 323,
START1__O__N = START1__N__O,
START1__O_CA = START1_CA__O,
START1__O_CB = START1_CB__O,
START1__O__C = START1__C__O,
START1__O__O = 324,
START2__N__N = 325,
START2__N_CA = 326,
START2__N_CB = 327,
START2__N__C = 348,
START2__N__O = 349,
START2_CA__N = START2__N_CA,
START2_CA_CA = 350,
START2_CA_CB = 351,
START2_CA__C = 372,
START2_CA__O = 373,
START2_CB__N = START2__N_CB,
START2_CB_CA = START2_CA_CB,
START2_CB_CB = 374,
START2_CB__C = 605,
START2_CB__O = 626,
START2__C__N = START2__N__C,
START2__C_CA = START2_CA__C,
START2__C_CB = START2_CB__C,
START2__C__C = 647,
START2__C__O = 648,
START2__O__N = START2__N__O,
START2__O_CA = START2_CA__O,
START2__O_CB = START2_CB__O,
START2__O__C = START2__C__O,
START2__O__O = 649,
START3__N__N = 650,
START3__N_CA = 651,
START3__N_CB = 652,
START3__N__C = 673,
START3__N__O = 674,
START3_CA__N = START3__N_CA,
START3_CA_CA = 675,
START3_CA_CB = 676,
START3_CA__C = 697,
START3_CA__O = 698,
START3_CB__N = START3__N_CB,
START3_CB_CA = START3_CA_CB,
START3_CB_CB = 699,
START3_CB__C = 930,
START3_CB__O = 951,
START3__C__N = START3__N__C,
START3__C_CA = START3_CA__C,
START3__C_CB = START3_CB__C,
START3__C__C = 972,
START3__C__O = 973,
START3__O__N = START3__N__O,
START3__O_CA = START3_CA__O,
START3__O_CB = START3_CB__O,
START3__O__C = START3__C__O,
START3__O__O = 974,
START4_NEIGHBOUR = 975
};
static const float
WIDTH_FACTOR = 30.0,
NR_NEIGHBOUR = 3.0,
CUTOFF_SQR = 0.64,
CA_CA_CUTOFF_SQR = 1.0;
#define R01__N_CB 0.6
#define R01_CA_CB 0.5
#define R01_CB_CB 0.65
#define R01__C_CB 0.56
#define R01__O_CB 0.5
#define R01__N_CA 0.6
#define R01_CA_CA 0.58
#define R01_CB_CA R01_CA_CB
#define R01__C_CA 0.62
#define R01__O_CA 0.5
#define R01__N__N 0.54
#define R01_CA__N R01__N_CA
#define R01_CB__N R01__N_CB
#define R01__C__N 0.45
#define R01__O__N 0.35
#define R01__N__C R01__C__N
#define R01_CA__C R01__C_CA
#define R01_CB__C R01__C_CB
#define R01__C__C 0.55
#define R01__O__C 0.5
#define R01__N__O R01__O__N
#define R01_CA__O R01__O_CA
#define R01_CB__O R01__O_CB
#define R01__C__O R01__O__C
#define R01__O__O 0.55
#define R02__N_CB 0.6
#define R02_CA_CB 0.5
#define R02_CB_CB 0.65
#define R02__C_CB 0.56
#define R02__O_CB 0.5
#define R02__N_CA 0.6
#define R02_CA_CA 0.58
#define R02_CB_CA R02_CA_CB
#define R02__C_CA 0.62
#define R02__O_CA 0.5
#define R02__N__N 0.54
#define R02_CA__N R02__N_CA
#define R02_CB__N R02__N_CB
#define R02__C__N 0.45
#define R02__O__N 0.35
#define R02__N__C R02__C__N
#define R02_CA__C R02__C_CA
#define R02_CB__C R02__C_CB
#define R02__C__C 0.55
#define R02__O__C 0.5
#define R02__N__O R02__O__N
#define R02_CA__O R02__O_CA
#define R02_CB__O R02__O_CB
#define R02__C__O R02__O__C
#define R02__O__O 0.55
#define R03__N_CB 0.6
#define R03_CA_CB 0.5
#define R03_CB_CB 0.65
#define R03__C_CB 0.56
#define R03__O_CB 0.5
#define R03__N_CA 0.6
#define R03_CA_CA 0.58
#define R03_CB_CA R03_CA_CB
#define R03__C_CA 0.62
#define R03__O_CA 0.5
#define R03__N__N 0.54
#define R03_CA__N R03__N_CA
#define R03_CB__N R03__N_CB
#define R03__C__N 0.45
#define R03__O__N 0.35
#define R03__N__C R03__C__N
#define R03_CA__C R03__C_CA
#define R03_CB__C R03__C_CB
#define R03__C__C 0.55
#define R03__O__C 0.5
#define R03__N__O R03__O__N
#define R03_CA__O R03__O_CA
#define R03_CB__O R03__O_CB
#define R03__C__O R03__O__C
#define R03__O__O 0.55
#endif /* CP_ALLAT_H */