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 "charm++.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"
#include <pthread.h>

Go to the source code of this file.

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

Function Documentation

read_binary_coors()

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.

Referenced by NamdState::loadStructure().

                                                 {
  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()