Hi,
Can you please supply some more information? Specifically, the version
of AmberTools, the exact input you are using, the output you are
getting, and if possible attach the topology and a restart file or a 1
frame trajectory so that I can attempt to reproduce the behavior you
are seeing. Thanks!
-Dan
On Thu, May 17, 2012 at 4:06 AM, colvin <colvin4367.gmail.com> wrote:
> 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 - 04:30:02 PDT
