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root/group/trunk/tcProps/tcProps.c
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Comparing trunk/tcProps/tcProps.c (file contents):
Revision 1073 by mmeineke, Sat Feb 28 16:45:57 2004 UTC vs.
Revision 1080 by mmeineke, Wed Mar 3 15:16:15 2004 UTC

# Line 12 | Line 12
12   #include "directorHead.h"
13   #include "directorWhole.h"
14   #include "rmsd.h"
15 + #include "gofz.h"
16  
17  
18   #define VERSION_MAJOR 0
# Line 48 | Line 49 | int main( int argC, char *argV[] ){
49    int scdCorr;
50    double startTime;
51    double maxLength;
52 <  int directorHead, directorWhole, doRMSD;
52 >  int directorHead, directorWhole, doRMSD, doGofz;
53    enum atomNames rmsdType;
54  
55    // system initialization
# Line 70 | Line 71 | int main( int argC, char *argV[] ){
71    directorHead = 0;
72    directorWhole = 0;
73    doRMSD = 0;
74 +  doGofz = 0;
75    
76  
77    // parse the command line
# Line 318 | Line 320 | int main( int argC, char *argV[] ){
320              break;
321  
322            case 'w':
323 <            // -h turn on director head
323 >            // -w turn on director head
324  
325              directorWhole = 1;
326 +            break;
327 +
328 +          case 'g':
329 +            // -g turn on gofZ
330 +
331 +            doGofz = 1;
332              break;
333  
334  
# Line 494 | Line 502 | int main( int argC, char *argV[] ){
502      
503      rmsd( rmsdType, startTime, outPrefix );
504    }
505 +
506 +  if(doGofz){
507 +
508 +    fprintf ( stdout,
509 +              "Calculating the gofZ\n" );
510 +    fflush( stdout );
511 +    
512 +    calcGofz( startTime, atoms, outPrefix );
513 +  }
514    
515  
516    closeFile();
# Line 520 | Line 537 | void usage(){
537                  "                     *Defaults to 1/2 smallest length of first frame.\n"
538                  "   -s              Calculate the Scd chain correlation.\n"
539                  "   -h              Calculate the directors for the head groups\n"
540 <                "   -w              Calculate the director fro the bilayers\n"
540 >                "   -w              Calculate the director from the bilayers\n"
541 >                "   -g              Calculate the gofz profile\n"
542                  "\n"
543                  "   long:\n"
544                  "   -----\n"

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