Re: psf file creation

From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Fri Apr 03 2009 - 15:55:14 CDT

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Hi Gurunath,
you need to include a topology file for the heme; you should, for
example, be able to find one from

Autenrieth, F., et al., Classical force field parameters for the heme
prosthetic group of cytochrome c. J. Comp. Chem., 2004. 25(13): p.
1613-1622.

Best,
Peter

gurunath katagi wrote:
> hello ....
>
> i wnat to cretate a psf file for tetramer protein molecule(pdbid :
> 4HHB) ... but i want the heme molecules also to be retained after the
> psf file is created...
>
> when i follow the usual procedure given in the tutorial.or autopsf in
> VMD... the heme molecule are being truncated...
>
> can u suggest me possible solution..
>
> Regards
>
> --
> Gurunath M Katagi
> M.Sc (engg) Research student
> Supercomputer Education and Research Centre
> Indian Institute Of Science
> Bangalore

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