[AMBER] Amber11: running ptraj

From: George Tzotzos <gtzotzos.me.com>
Date: Mon, 07 Jun 2010 12:10:05 +0200

Hi everybody,

I'm trying to run ptraj on the following script (measure_equil_rmsd.ptraj)

trajin equil.mdcrd.gz 1 250 1
reference 2wc6_bom_solv.inpcrd
rms reference out equil.rmsd .CA,C,N

Running: ptraj measure_equil_rmsd.ptraj

results in:

  -/- PTRAJ: a utility for processing trajectory files
  \-/ Version: "AMBER 11.0 integrated" (4/2010)
  -/- Executable is: "ptraj"
  /-\ Running on 1 processor(s)
  \-/ Error scanning a value: parm->NTOTAT
Error scanning a value: parm->NTYPES
Error scanning a value: parm->NBONH
Error scanning a value: parm->NBONA
Error scanning a value: parm->NTHETH
ERROR in NAME_COPY: ... EOF encounters on scanning igraph

Any suggestions on how to deal with this?

Many thanks in advance


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Received on Mon Jun 07 2010 - 03:30:03 PDT
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