[AMBER] problem with vector principal

From: fatima chami <fatima.chami.durham.ac.uk>
Date: Tue, 21 Feb 2012 22:34:21 +0000

Dear all,
I upgraded to Ambertools version 1.5 and patched the bugfix.all but when I
run vector principal with no x,y or z specification (bugfix.18)..i still
have a segmentation fault
-------------------------------------
PTRAJ: vector myvect :1-155 principal out
myos_wat-4anew4_md3-9_C4C3-shift_Pall.dat
Mask [:1-155] represents 2573 atoms
Segmentation fault
--------------------------------------
Also I noticed when I run ptraj (V.1.5)..is still gives me :

  \-/
  -/- PTRAJ: a utility for processing trajectory files
  /-\
  \-/ Version: "AMBER 11.0 integrated" (4/2010)
  -/- Executable is: "ptraj"
  /-\ Running on 1 processor(s)
  \-/ Residue labels:



bugfix.18: Ptraj: Several bugfixes. (1) Fix bug in 'closest' where wrong
distances calcd if no box info present. (2) Fix minor memory error in
'secstruct'. (3) Correct behavior of 'vector principal' when 'x|y|z' not
specified

Any help on this please

Thanks
Fatima


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Received on Tue Feb 21 2012 - 15:00:02 PST
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