Re: [AMBER] chamber problem

From: David Case <>
Date: Tue, 12 Feb 2019 22:34:45 +0000

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

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" 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
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