| 252 |
|
|
| 253 |
|
int nCellsX, nCellsY, nCellsZ; |
| 254 |
|
|
| 255 |
< |
const double boxTargetX = 56; |
| 256 |
< |
const double boxTargetY = 41; |
| 255 |
> |
const double boxTargetX = 66.22752; |
| 256 |
> |
const double boxTargetY = 60.53088; |
| 257 |
|
|
| 258 |
|
nCellsX = (int)ceil(boxTargetX / waterCell); |
| 259 |
|
nCellsY = (int)ceil(boxTargetY / waterCell); |
| 283 |
|
double box_y = waterCell * nCellsY; |
| 284 |
|
double box_z = waterCell * nCellsZ; |
| 285 |
|
|
| 286 |
– |
|
| 287 |
– |
|
| 286 |
|
// create an fcc lattice in the water box. |
| 287 |
|
|
| 288 |
|
ndx = 0; |
| 385 |
|
|
| 386 |
|
sort(zSortArray.begin(),zSortArray.end(),SortCond()); |
| 387 |
|
|
| 388 |
< |
ofstream outFile( "./zConBead3-01.bass", ios::app); |
| 388 |
> |
ofstream outFile( "./zipper.bass", ios::app); |
| 389 |
|
|
| 390 |
|
for(i=0; i<nLipids; i++){ |
| 391 |
|
outFile << "zConstraint[" << i << "]{\n" |