| 68 |
|
if( !strcmp( argv[i], "--GofR" ) ){ |
| 69 |
|
calcGofR = 1; |
| 70 |
|
i++; |
| 71 |
+ |
strcpy( cosCorr1, argv[i] ); |
| 72 |
+ |
i++; |
| 73 |
+ |
strcpy( cosCorr2, argv[i] ); |
| 74 |
+ |
} |
| 75 |
+ |
|
| 76 |
+ |
else if( !strcmp( argv[i], "--CosCorr" ) ){ |
| 77 |
+ |
calcCosCorr = 1; |
| 78 |
+ |
i++; |
| 79 |
|
strcpy( gofR1, argv[i] ); |
| 80 |
|
i++; |
| 81 |
|
strcpy( gofR2, argv[i] ); |
| 91 |
|
haveStartFrame = 1; |
| 92 |
|
i++; |
| 93 |
|
startFrame = atoi(argv[i]); |
| 94 |
+ |
startFrame--; |
| 95 |
|
} |
| 96 |
|
|
| 97 |
|
else if( !strcmp( argv[i], "--endFrame" ) ){ |
| 467 |
|
" -note: \"all\" will do all atoms\n" |
| 468 |
|
" --MuCorr <atom> Calculate mu correlation of atom\n" |
| 469 |
|
" --CosCorr <atom1> <atom2> Calculate the cos correlation between atom1 and atom2\n" |
| 470 |
< |
" --startFrame <frame#> Specifies a frame to start correlating\n" |
| 471 |
< |
" --endFrame <frame#> Specifies a frame to stop correlating.\n" |
| 470 |
> |
" --startFrame <frame#> Specifies a frame to start correlating\n" |
| 471 |
> |
" --endFrame <frame#> Specifies a frame to stop correlating.\n" |
| 472 |
|
|
| 473 |
|
"\n" |
| 474 |
|
"\n", |