i'm trying to do secondary structure analysis
my input file is:
trajin md20.mdcrd
secstruct out md20.ss time 0.2 :1-20
the output is:
\-/
-/- PTRAJ: a utility for processing trajectory files
/-\
\-/ Version: "AMBER 11.0 integrated" (4/2010)
-/- Executable is: "ptraj"
/-\ Running on 1 processor(s)
\-/ Residue labels:
ASN LEU TYR ILE GLN TRP LEU LYS ASP GLY
GLY PRO SER SER GLY ARG PRO PRO PRO SER
Cl- WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
...
WAT WAT WAT WAT WAT WAT WAT
Setting box to be an exact truncated octahedron, angle is 109.471221
PTRAJ: Processing input from "STDIN" ...
PTRAJ: trajin m19.mdcrd
Checking coordinates: m19.mdcrd
Could not process trajectory m19.mdcrd
PTRAJ: secstruct out md19.ss :1-20 time 0.2
Mask [:1-20] represents 304 atoms
WARNING in ptraj(): No input trajectories specified (trajin), aborting...
can anybody help me how to do secstruct analysis?
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Received on Tue Jun 14 2011 - 00:30:04 PDT
