VMD-L Mailing List
From: Javaria Ahmed (javah_at_itn.liu.se)
Date: Wed Jan 24 2007 - 16:18:01 CST
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Hi
My question is regarding paratool;
Paratool accepts pdb file as input of base molecule, my molecule is an
inorganic diatomic crystal. (I want to load a base molecule of lets say 14
atoms)
How will paratool parameterize a molecule without knowing atom connectivity
(i.e psf file), that what is its crystal structure, how are atoms
connected, which atoms are connected and which are not?
And how can I edit such a structure in Molefacture.
Regards
javaria
- Next message: Javaria Ahmed: "Molefacture error"
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- Reply: John Stone: "Re: Regarding paratool"
- Reply: Jan Saam: "Re: Regarding paratool"
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