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
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu May 17 2012 - 01:30:03 PDT
