convert .xyz file in .psf file for non-protein molecule

From: grenier_at_cinam.univ-mrs.fr
Date: Thu Sep 08 2016 - 10:20:03 CDT

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 Dear NAMD users,

I am a new user of NAMD MD simulations. I work with this non-protein
molecule in attachment. Its structure is alrealy optimized (in DFT), so I
just want to convert this .XYZfile in .PSFfile to perform MD simulation on
it.

I search in the mailing list and in different tutorials how to do this but
I don't find the solution.

So I very appreciate any help to do this

Regards

Benjamin Grenier

Cinam CNRS, France

• chemical/x-xyz attachment: azacalix.xyz

• Next message: Axel Kohlmeyer: "Re: convert .xyz file in .psf file for non-protein molecule"
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