mengine/src/fix.h

// fix distantce data 

#define MAXDIS 300

EXTERN struct t_fixdis {
        int FixBond;
        int nfxstr, ifxstr[MAXDIS][2];
        float fxstrd[MAXDIS], fxstrc[MAXDIS];
        int fixatm;
        }       fixdis;

// fix angle data
EXTERN struct t_fixangle {
        int nfxangle, ifxangle[10][3];
        float anat[10], acon[10];
        } fixangle;
        
// fix torsion data
EXTERN struct t_fxtor {
        int nfxtor, iatom[10][4];
        int start_ang[10], curr_ang[10], final_ang[10];
        int step[10];
        } fxtor;
Revision:	27
Committed:	Tue Jul 8 19:10:25 2008 UTC (13 years, 11 months ago) by tjod
Original Path:	*trunk/src/mengine/src/fix.h*
File size:	541 byte(s)
Log Message:	move mengine src to reflect new freemol directory structure
Line	File contents
1	// fix distantce data
2
3	#define MAXDIS 300
4
5	EXTERN struct t_fixdis {
6	int FixBond;
7	int nfxstr, ifxstr[MAXDIS][2];
8	float fxstrd[MAXDIS], fxstrc[MAXDIS];
9	int fixatm;
10	} fixdis;
11
12	// fix angle data
13	EXTERN struct t_fixangle {
14	int nfxangle, ifxangle[10][3];
15	float anat[10], acon[10];
16	} fixangle;
17
18	// fix torsion data
19	EXTERN struct t_fxtor {
20	int nfxtor, iatom[10][4];
21	int start_ang[10], curr_ang[10], final_ang[10];
22	int step[10];
23	} fxtor;