molecule m;
float 	m_xyz[2000], f[2000];
float 	dgrad, fret;
int 	ier; 

m = getpdb("xfin.pdb");
readparm(m, "xfin.top");
mm_options( "ntpr=1, gb=1, gbsa=1, surften=0.005, cut=99.0, diel=C ");
mme_init( m, NULL, "::Z", m_xyz, NULL);

dgrad = 3*m.natoms*0.0001;
getxv( "xfin.x", m.natoms, fret, m_xyz, f );
ier = conjgrad(m_xyz, 3*m.natoms, fret, mme, dgrad, 10.0, 10 );
if(mytaskid==0)
  printf( "conjgrad returns %d\n", ier);
// mme( m_xyz, f, -1 );

mme_timer();