Dear AMBER users,
prod_001.mdcrd [ generated by AMBER 12,
format is netcdf amber trajectory ] consists of 5000 frames. I used
following command to convert it to pdb:
cpptraj -i input_for_cpptraj -p parameter_topology
where "parameter_topology" is the parameter topology file which was also
used in production run.
and
input_for_cpptraj is the input file that consists of following scripts:
trajin prod_001.mdcrd
trajout prod_001pdb pdb nobox
When run the command, the output file "prod_001pdb " consists of 5000
frames in pdb format [ which I really wanted]. *Please help me to figure
out(if any) possible mistakes in the sense that our AMBER TOOL 15{*Version
1.5, April 7, 2011*} (section 7.4.4,page - 149) explains that "The file
will be appended to if append is specified (not supported for pdb, mol2, or
restart)"*. In my case, * trajout prod_001pdb pdb append nobox *did not
produce any output file BUT gave output if I removed "append" from the
trajout.
Thanks,
Mahendra Thapa
University of Cincinnati
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Received on Tue Jun 26 2012 - 10:00:02 PDT
