[AMBER] cpptraj-secstruct

From: colvin <colvin4367.gmail.com>
Date: Thu, 17 May 2012 16:06:30 +0800

Dear all.

I am having problem with secstruct in cpptraj, as the program couldn't
read my mask for the residue (:1-460) and even if i didn't put the
residue selection, the command still not working, with the output:
Mask [:1-460] corresponds to 0 residues or Mask [*] corresponds to 0
residues.

i use radgyr and distance command in cpptraj for the same set of
trajectories and prmtop file with the same mask, and they are working
well. I have no idea what is wrong here. Pls advise.

FYI, i already applied all the bugfix during compilation and the
command used is exactly follow the one in manual (secstruct :1-460 out
test and secstruct out test :1-460)

Looking forward for your reply.

Thanks and regards,
Colvin

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Received on Thu May 17 2012 - 01:30:03 PDT
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