NamdState.C File Reference

#include "InfoStream.h"
#include "common.h"
#include "Molecule.h"
#include "Parameters.h"
#include "SimParameters.h"
#include "ConfigList.h"
#include "PDB.h"
#include "NamdState.h"
#include "Controller.h"
#include "ScriptTcl.h"
#include <unistd.h>
#include <sys/stat.h>
#include "parm.h"
#include "ReadAmberParm.h"
#include "Debug.h"
#include "CompressPsf.h"
#include "PluginIOMgr.h"
#include "BackEnd.h"

Go to the source code of this file.

Functions
void	read_binary_coors (char *fname, PDB *pdbobj)

Function Documentation

void read_binary_coors	(	char *	fname,
		PDB *	pdbobj
	)

Copyright (c) 1995, 1996, 1997, 1998, 1999, 2000 by The Board of Trustees of the University of Illinois. All rights reserved.

Definition at line 34 of file NamdOneTools.C.

                                                 {
  Vector *newcoords;    //  Array of vectors to hold coordinates from file

  //  Allocate an array to hold the new coordinates
  newcoords = new Vector[pdbobj->num_atoms()];

  //  Read the coordinate from the file
  read_binary_file(fname,newcoords,pdbobj->num_atoms());

  //  Set the coordinates in the PDB object to the new coordinates
  pdbobj->set_all_positions(newcoords);

  //  Clean up
  delete [] newcoords;

} // END OF FUNCTION read_binary_coors()