| 13 |
|
|
| 14 |
|
// list of 'a priori' constants |
| 15 |
|
|
| 16 |
< |
const int nLipAtoms = 19; |
| 17 |
< |
const int nBonds = 18; |
| 18 |
< |
const int nLipids = NLIPIDS; |
| 19 |
< |
const int nSSD = NSSD; |
| 20 |
< |
const int nAtoms = nLipAtoms * nLipids + nSSD; |
| 16 |
> |
const int nLipAtoms = NL_ATOMS; |
| 17 |
> |
const int nBonds = NBONDS; |
| 18 |
> |
const int nLipids = NLIPIDS; |
| 19 |
> |
const int nSSD = NSSD; |
| 20 |
> |
const int nAtoms = nLipAtoms * nLipids + nSSD; |
| 21 |
|
|
| 22 |
|
// different needed variables |
| 23 |
|
|
| 29 |
|
// system initialization |
| 30 |
|
|
| 31 |
|
isScanned = 0; |
| 32 |
+ |
fileOpen = 0; |
| 33 |
+ |
nFrames = 0; |
| 34 |
+ |
frameTimes = NULL; |
| 35 |
|
|
| 36 |
|
|
| 37 |
|
// initialize the arrays |
| 90 |
|
|
| 91 |
|
// read and set the frames |
| 92 |
|
|
| 93 |
< |
nFrames = setFrames( inName ); |
| 93 |
> |
setFrames( inName ); |
| 94 |
|
|