Dear Amber users,
I wanted to calculate the dihedral angles (phi. psi, omega) for my
trajectory obtained using NMR structure. The prmtop was obtained using
leap, giving pdb as input structure. When i was trying to run the ptraj
command , its giving segmentation fault, the ptraj.out file was viewed. It
is unable to mask all the atoms. the pdb and prmtop file (created from the
pdb structure) are attached. Also the ptraj input and output files are
attached. I am unable to troubleshoot this for quite some time now. I
would be grateful if anyone can help me out with this
Thanks in advance
Regards
Parul Sharma
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Parul Sharma
RA, Department of Biophysics,
AIIMS, New Delhi, India.
Mobile No. +919555676944
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- application/octet-stream attachment: ptraj.in
- application/octet-stream attachment: ptraj.out
Received on Mon Jun 03 2013 - 04:30:02 PDT
