| # | Line 365 | Line 365 | int main(int argc, char *argv []) { | |
|---|---|---|
| 365 | //creat new .md file on fly which corrects the number of molecule | |
| 366 | createMdFile(inputFileName, outputFileName, nMol); | |
| 367 | ||
| 368 | < | if (oldInfo != NULL) |
| 369 | < | delete oldInfo; |
| 368 | > | delete oldInfo; |
| 369 | ||
| 370 | SimCreator newCreator; | |
| 371 | SimInfo* NewInfo = newCreator.createSim(outputFileName, false); | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |