Hi everybody,
I'm trying to run ptraj on the following script
(measure_equil_rmsd.ptraj)
trajin equil.mdcrd.gz 1 250 1
reference ras-raf_solvated.inpcrd
rms reference out equil.rmsd .CA,C,N
[egarciah.n339 run1]$
/global/home/egarciah_g/egarciah/amber12/bin/ptraj
measure_equil_rmsd.ptraj
\-/
-/- PTRAJ: a utility for processing trajectory files
/-\
\-/ Version: "AMBER 11.0 integrated" (4/2010)
-/- Executable is:
"/global/home/egarciah_g/egarciah/amber12/bin/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 scanning a value: parm->NTHETA
Error scanning a value: parm->NPHIH
Error scanning a value: parm->NPHIA
Error scanning a value: parm->JHPARM
Error scanning a value: parm->JPARM
Error scanning a value: parm->NEXT
Error scanning a value: parm->NTOTRS
Error scanning a value: parm->MBONA
Error scanning a value: parm->MTHETS
Error scanning a value: parm->MPHIA
Error scanning a value: parm->MUMBND
Error scanning a value: parm->MUMANG
Error scanning a value: parm->MPTRA
Error scanning a value: parm->NATYP
Error scanning a value: parm->NHB
Error scanning a value: parm->IFPERT
Error scanning a value: parm->NBPER
Error scanning a value: parm->NGPER
Error scanning a value: parm->NDPER
Error scanning a line of 12I6: parm->MBPER
Error scanning a value: parm->MBPER
Error scanning a value: parm->MGPER
Error scanning a value: parm->MDPER
Error scanning a value: parm->IFBOX
Error scanning a value: parm->NMXRS
Error scanning a value: parm->IFCAP
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 Wed Apr 18 2012 - 12:00:03 PDT
