[AMBER] Problem with vector principal

From: fatima chami <fatima.chami.durham.ac.uk>
Date: Tue, 21 Feb 2012 22:41:41 +0000

Dear all,
I upgraded to ambetools 1.5 and patched the bugfixes but yet I still have
segmentation fault with:
Vector
vector myvect :1-155 principal out output.dat

It does not seem to be working

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. (4) Fix segfaults in 'watershell' command.


Also noticed that ptraj display the same details as previous version 1.4

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


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