********>Bugfix 20
Author: Dave Case, based on a report and patch from Camron Abrams
Date: 10/01/2006
Programs: ptraj
Description: The code that reads in the eigenvectors won't work when there
are more than 9999 elements.
Fix: apply the following patch to src/ptraj/evec.c
------------------------------------------------------------------------------
*** evec.c 3 Apr 2006 23:35:48 -0000 9.0
--- evec.c 1 Oct 2006 18:59:17 -0000
***************
*** 112,126 ****
"WARNING in ptraj(), readEvecFile: sscanf on coords failed\n");
return 1;
}
! tmpbuf = buffer + 5;
! if (sscanf(tmpbuf, "%i", &(modinfo->nvectelem)) != 1) {
! /*
! * For compatibility with quasih and nmode output
! */
! fprintf(stderr,
! "FYI: No value for nvectelem found in %s, assuming it is navgelem\n", modinfo->name);
! modinfo->nvectelem = modinfo->navgelem;
! }
/*
* Allocate memory for avg, freq, evec
--- 112,128 ----
"WARNING in ptraj(), readEvecFile: sscanf on coords failed\n");
return 1;
}
! switch (sscanf(buffer,"%i %i", &(modinfo->navgelem), &(modinfo->nvectelem))) {
! case 0:
! fprintf(stderr,
! "WARNING in ptraj(), readEvecFile: sscanf on coords failed\n");
! return 1;
! case 1: /* assume the first was read in */
! fprintf(stderr,
! "FYI: No value for nvectelem found in %s, assuming it is navgelem\n", modinfo->name);
! modinfo->nvectelem = modinfo->navgelem;
! break;
! }
/*
* Allocate memory for avg, freq, evec
------------------------------------------------------------------------------
Temporary workarounds: none