From chemistry-request- at -ccl.net Thu May 19 10:43:05 2005
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From: Jukka-Pekka Jalkanen <jukkapekka.jalkanen () unibo.it>
Reply-To: jukkapekka.jalkanen () unibo.it
Organization: Dipartimento di Chimica "G. Ciamician", Universita di Bologna
To: chemistry () ccl.net
Subject: Re: CCL:Tinker input file 2
Date: Thu, 19 May 2005 14:42:56 +0200
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Hi Holly,

Have you tried Molden? It can save TINKER xyz files and assign atom types.
Molden can open several filetypes, just open the file you already have (pdb, 
mol2 etc.) and tell Molden to write TINKER xyz file.

http://www.cmbi.ru.nl/molden/molden.html

I hope this helps,


Jukka-Pekka Jalkanen




> Dear all CCLers,
>
> I would like to use free TINKER to calculated molecular dynamics. But the
> input file of tinker seems difficult to generate because the int or xyz
> file need to be assigned force field atom type first. Can anyone tell me
> about the most convenient way to generate the input xyz or int file? Is
> there any free program I can use?
>
> Thank you very much,
>
> Holly