Modified in:

prm.h, sff.c , conjgrad.c:

- Put global variables from sff.c in a structure:
typedef struct SFFoptions
{
  _REAL cut;                  /* non-bonded cutoff (8.0)*/
  _REAL scnb;                 /* scale factor for 1-4 nonbonds (2.0) */
  _REAL scee;                 /* scale factor for 1-4 electrostatics (1.2) */
  int  ntpr;                  /*  print frequency  (10)*/
  int  nsnb;                  /*  non-bonded update frequency (25) */
  int  mme_init_first;        /* 1 */

  int  *frozen;
  int  nfrozen;

  int  *constrained ;
  int  nconstrained ;
  _REAL *x0 ;                /*  will hold coordinates to be constrained  */
  _REAL wcons ;              /*  weight of constraints    */


  int *npairs;
  int *pairlist;
  int maxnb;
  int dield;             /* dielectric function to be used */
  _REAL w4d ;
  int dim;           /* dimension: 3 or 4 */
  

                            /*  MD variables:  */

  _REAL t;		    /* initial time (0)*/
  _REAL dt;	            /* time step, ps.(0.001) */
  _REAL tautp;	            /* temp. coupling parm., ps (0.02) */
  _REAL temp0;	            /* target temperature, K (300.0)*/
  _REAL boltz2;             /* 9.93595e-4 */
  _REAL vlimit;	            /* maximum velocity component (10.0)*/
  int  ntpr_md ;	    /* print frequency  (10)*/
  int  ntwx;		    /* trajectory snapshot frequency (0) */
  FILE *binposfp;    /* file pointer for trajectories  */
  int  zerov;		    /* if true, use zero initial velocities (0)*/
  _REAL tempi;              /* initial temperature (0.0)*/
  int  idum;                /* random number seed (-1)*/
  _REAL enbr, ehbr, eelr, etorr, enb14r, eel14r; /* energies of monitors residue */
  int  nhbpair;
} SFFoptions; 


- added a function to allocate memory for the SFFoptions structure and
  initialize its members :
     SFFoptions *init_sff_options(void);


- mofified the following functions to accept a pointer to SFFoptions 
  structure as an argument:
  int mme_init(int *froz, int *constr, _REAL *x0i, FILE *bfpi,
 	       parmstruct *prm, SFFoptions * opts); 
  _REAL mme( _REAL *x, _REAL *f, int *iter, _REAL *ene, parmstruct *prm, 
             SFFoptions *opts ); 
  int conjgrad(_REAL *x, int *n, _REAL *f, mme_f func,
	       _REAL *dgrad, _REAL *dfpred, int *maxiter, parmstruct *prm,
	       _REAL *ene, SFFoptions *opts);  
  int md(int n, int maxstep, _REAL *x, _REAL *minv, _REAL *f, _REAL *v,
	 mme_f func, _REAL *ene, parmstruct *prm, SFFoptions *opts );
  int mm_options( char *c, float val, SFFoptions *opts );
  int md_options( char *c, float val, SFFoptions *opts );
  void sffC_list_options(SFFoptions *opts);
  void  mme_cleanup(SFFoptions *opts);







