On Wed, Sep 05, 2018, maryam azimzadehirani wrote:
> After the IT department compiled AMBER they sent me this list of actions
> for using amber. I dont have Sander and when I try it I get this error:
> var/spool/torque/mom_priv/jobs/173680.hpc.ce.sharif.edu.SC: line 8:
> /root/amber16/bin/sander: No such file or directory
You have a badly broken installation. You don't need any special root
privileges to install Amber, so you should consider just trying the
installation yourself. Or, ask your IT person to pay more attention to
error messages during the installation step.
> > >
> > > /root/amber16/bin/sander.MPI -O -i min1.in -o min1.out -p complex.top -c
> > > complex.crd -r min1.rst -ref complex.top
^^^^^^^^^^^^^^^^
Your -ref argument is wrong: this needs to point to a set of coordinates
(e.g. complex.crd), and not to a topology file (complex.top).
....dac
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Received on Wed Sep 05 2018 - 05:30:03 PDT
