On Wed, Feb 13, 2019, Prabir Khatua wrote:
>
>Thank you for your reply. I assume the executable to be parmed that will
>job similar job as that of chamber. As per your suggestion,
>I have installed AmberTools18 to do this conversion. I am using the
>following command
>
>$AMBERHOME/bin/parmed -top top_all36_prot.rtf -param par_all36m_prot.prm
>-cmap -xpsf Willbold_IRF_1-42_6X2.psf -crd -p prot.prmtop -inpcrd
>prot.inpcrd
Above is not correct; you can consult the section on ParmEd in the
Reference Manual (Section 14.2), or just type "help" at the parmed prompt.
> raise DistributionNotFound(req, requirers)
>pkg_resources.DistributionNotFound: The 'ParmEd==3.0.0+57.g74a84d30'
>distribution was not found and is required by the application
Not sure about this error: be sure you have typed "source amber.sh" in
the AMBERHOME directory, so that your environment is properly set up.
...good luck....dac
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Received on Tue Feb 12 2019 - 15:00:03 PST
