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
}	header
struct {
int32   dummy1
int32   nbcell_begin
double   unitcell [6]
int32   nbcell_end
int32   dummy2
}	cell
int32 *	coordbuf
float *	x
float *	y
float *	z
int32	coordbuflen
int32	nbcell
int32	stepnum
int32	status

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Detailed Description

DCD trajectory file writer class.

Members should be treated as private.

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The documentation for this struct was generated from the following file:

• mdio/dcd.h

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