Thanks David.
I will froward this email to IT people. If it doesnt work out, I will try
to compile Amber myself.
On Wed, 5 Sep 2018, 16:40 David A Case, <david.case.rutgers.edu> wrote:
> 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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>
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Received on Wed Sep 05 2018 - 07:30:02 PDT
