[AMBER] cpptraj: list command throws seqfault

From: Thomas Fox <thomas_fox.gmx.net>
Date: Thu, 19 Jan 2017 13:58:36 +0100


   Im having a problem with cpptraj and the list command after having cleared
   datasets: cpptraj throws a segfault or aborts.
   This seems to be a problem with dihedral datasets, when I do a rms instead
   of the dihedral command, things work fine.

   I first noticed that with cpptraj15, so I downloaded the current version
   from git yesterday and compiled it with
   ./configure gnu –amberlib; make
   My system is Scientific Linux 6.6

   I have attached sample input files (parmtop, trajectory, ccptraj-command
   files) as well as the output files, both from cpptraj 15 and 17.
   cptin.ok works fine, ctpin.seqflt has an additional “clear datasets” command
   followed by “list” which causes cpptraj to crash.

   Can you reproduce this behavior? Is this a real problem or I do something
   completely stupid?

   Thanks a lot,

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Received on Thu Jan 19 2017 - 05:00:03 PST
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