| 50 |
|
|
| 51 |
|
#include "applications/dynamicProps/DynamicPropsCmd.h" |
| 52 |
|
#include "applications/dynamicProps/DipoleCorrFunc.hpp" |
| 53 |
+ |
#include "applications/dynamicProps/RMSD.hpp" |
| 54 |
|
#include "applications/dynamicProps/RCorrFunc.hpp" |
| 55 |
|
#include "applications/dynamicProps/VCorrFunc.hpp" |
| 56 |
|
#include "applications/dynamicProps/LegendreCorrFunc.hpp" |
| 112 |
|
|
| 113 |
|
|
| 114 |
|
TimeCorrFunc* corrFunc; |
| 115 |
< |
if (args_info.dcorr_given){ |
| 115 |
> |
if (args_info.rmsd_given) { |
| 116 |
> |
corrFunc = new RMSD(info, dumpFileName, sele1, sele2); |
| 117 |
> |
} else if (args_info.dcorr_given){ |
| 118 |
|
corrFunc = new DipoleCorrFunc(info, dumpFileName, sele1, sele2); |
| 119 |
|
} else if (args_info.rcorr_given) { |
| 120 |
|
corrFunc = new RCorrFunc(info, dumpFileName, sele1, sele2); |