[AMBER] About the ptraj problem

From: c00jsw00 <c00jsw00.nchc.org.tw>
Date: Fri, 02 Jul 2010 13:12:40 +0800

Dear all,
This is my ptraj input and output ..

#input
------------------------------------------------------
trajin afm.x 1 500000 1
reference 2.pdb
rms reference out rms .CA
trajout out



#output
------------------------------------------------------
PTRAJ: Processing input from "STDIN" ...

PTRAJ: trajin afm.x 1 500000 1
  Checking coordinates: afm.x
FYI ptrajSetupIO(): trajin stop value (500000) is greater than the number
of sets read in.
Setting stop to the maximum value (14734)
..........



>From the output, the ptraj only read 14734 coordunates. How could I do to
fix the problem ?

Thanks

YT Wang

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Received on Thu Jul 01 2010 - 22:30:03 PDT
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