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mdio_Dcd_t Struct Reference

DCD trajectory file writer class. More...

#include <dcd.h>

List of all members.

Public Attributes

mdio_File file
struct {
   int32   nbhead_begin
   char   title [4]
   int32   numframes
   int32   firststep
   int32   framestepcnt
   int32   numsteps
   int32   zero5 [5]
   float   timestep
   int32   iscell
   int32   zero8 [8]
   int32   charmmversion
   int32   nbhead_end
   int32   nbtitle_begin
   int32   numtitle
   char   title_str [80]
   char   create_str [80]
   int32   nbtitle_end
   int32   nbnatoms_begin
   int32   natoms
   int32   nbnatoms_end
struct {
   int32   dummy1
   int32   nbcell_begin
   double   unitcell [6]
   int32   nbcell_end
   int32   dummy2
int32 * coordbuf
float * x
float * y
float * z
int32 coordbuflen
int32 nbcell
int32 stepnum
int32 status

Detailed Description

DCD trajectory file writer class.

Members should be treated as private.

The documentation for this struct was generated from the following file:
Generated on Mon Sep 26 10:55:20 2005 for MDX by  doxygen 1.4.4