Re: where is PSUL? Heme cystein link question?

From: Leonardo Trabuco (
Date: Thu Aug 10 2006 - 16:50:03 CDT

On Thu, Aug 10, 2006 at 12:01:50PM -0400, youbin tu wrote:
> I was trying to simulate P450, but the heme cysteine link still troubled
> me a lot. I found out that there seems to be PSUL(heme to sulfate link) in
> the parameter file, but I could not find the corresponding patch in topology
> file. Can you tell me where can I find the PSUL patch?

If you grep the files downloaded from Mackerell's web page, you'll see
that there's a PSUL patch in the file stream/toppar_all22_prot_heme.str.
I don't know if this is what you're looking for.


Leonardo Trabuco, Ph.D. candidate
Theoretical and Computational Biophysics Group
University of Illinois at Urbana-Champaign

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