molecule m;
float 	x[4000], v[4000];
float 	fret;
int 	i, natom, ier; 

m = getpdb("crambin.pdb");
readparm( m, "crambin.top" );
for( i=1; i<=4000; i++ ) v[i] = 0.0;

mm_options( "cut=999., ntpr=50, nsnb=99999, diel=C, gb=1" );
mme_init( m, NULL, "::Z", x, NULL);

getxv( "crambin.x", m.natoms, fret, x, v );
ier = conjgrad(x, 3*m.natoms, fret, mme, 0.00001, 0.5, 100 );
if(mytaskid==0)
  printf( "conjgrad returns %d\n", ier );

// get the normal modes:

ier = nmode( x, 3*m.natoms, mme2, 0,0,0.0,0.0,0);
if(mytaskid==0)
  printf("nmode returns %d\n", ier );

mme_timer();