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