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 "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.

00034                                                  {
00035   Vector *newcoords;    //  Array of vectors to hold coordinates from file
00036 
00037   //  Allocate an array to hold the new coordinates
00038   newcoords = new Vector[pdbobj->num_atoms()];
00039 
00040   //  Read the coordinate from the file
00041   read_binary_file(fname,newcoords,pdbobj->num_atoms());
00042 
00043   //  Set the coordinates in the PDB object to the new coordinates
00044   pdbobj->set_all_positions(newcoords);
00045 
00046   //  Clean up
00047   delete [] newcoords;
00048 
00049 } // END OF FUNCTION read_binary_coors()


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