| # | Line 69 | Line 69 | int main(int argc, char* argv[]){ | |
|---|---|---|
| 69 | int lineNum; | |
| 70 | int nTokens; | |
| 71 | int FF; | |
| 72 | + | int bandwidth; |
| 73 | short int gotMatch; | |
| 74 | ||
| 75 | //parse the command line options | |
| # | Line 83 | Line 84 | int main(int argc, char* argv[]){ | |
| 84 | exit(1); | |
| 85 | } | |
| 86 | ||
| 87 | + | //the bandwidth has a default value (default=8), so it is always given |
| 88 | + | bandwidth = args_info.bandwidth_arg; |
| 89 | + | |
| 90 | if (args_info.charmm_given) { | |
| 91 | FF=CHARMM; | |
| 92 | strcpy(vdwFileName, "charmm27.vdw"); | |
| # | Line 234 | Line 238 | int main(int argc, char* argv[]){ | |
| 238 | } | |
| 239 | ||
| 240 | //GridBuilder gb = new GridBuilder(rb); | |
| 241 | + | |
| 242 | //gb->launchProbe(FF, sigmaGrid, sGrid, epsGrid); | |
| 243 | + | |
| 244 | ||
| 245 | } | |
| 246 | ||
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