  FILE* output;

  char inputfilename[200];

  int EN,MD,MC,GCMD,GCMC;
  int nsites;
  int NHT;
  int SHIFT;
  int RELAX;
  int ASSVEL;
  int LRC;
  int VELDIS;
  int KINSTA;
  int totnsteps;
  int currentstep;
  int neqsteps;
  int Ndegfree;
  int printvl;
  int DEBUG = 0;
  int ndispacpt;
  int ndeleacpt;
  int ncreaacpt;
  int ndisptried;
  int ndeletried;
  int ncreatried;
  int nmodnMD;
  int nWid;
  int set;
  int seed;
  int vdist[100];

  double xo[maxnsites],yo[maxnsites],zo[maxnsites];
  double  x[maxnsites], y[maxnsites], z[maxnsites];
  double fx[maxnsites],fy[maxnsites],fz[maxnsites];
  double Lx,Ly,Lz;
  double Tsoll,Tist;
  double Tsum, Psum;
  double rho;
  double rhosum;
  double deltat;
  double cutoff;
  double m;
  double Evdw, Vvdw, Ekin;
  double dEdisp,dEmodn;
  double dVdisp,dVmodn;
  double Evdwsum, Ekinsum, Vvdwsum;
  double muex;
  double NHzeta;
  double NHzetaold;
  double NHcom;
  double NHtau;
  double sigma;
  double epsilon;
  double V;
  double BA;
  double beta;
  double maxdisp;
  double Elrc, Vlrc;
  double EshiftpIA,VshiftpIA;
  double gset;
