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 |
|
|