molecule m;
float 	m_xyz[6000];
float 	dgrad, fret;
int 	ier; 

m = getpdb("trxox.2.4ns.pdb");
readparm(m, "prmtop.gb2");
mm_options( "ntpr=1, gb=7, rgbmax=15.0, cut=99.0, diel=C, e_debug=0 ");
mme_init( m, NULL, "::Z", m_xyz, NULL);

dgrad = 3*m.natoms*0.0001;
setxyz_from_mol( m, NULL, m_xyz );
ier = conjgrad(m_xyz, 3*m.natoms, fret, mme, dgrad, 10.0, 10 );
if(mytaskid==0)
  printf( "conjgrad returns %d\n", ier );

mme_timer();