RE: more Heme troubles

From: Ralph Jimenez (
Date: Thu Nov 03 2005 - 13:19:54 CST

It turns out the problem generating the heme PSF (Oct 6 2005) from my
last post is due to a defective topology file.
  I used the topology file included in the VMD distribution plugins
  ...\noarch\tcl\membrane 1.0\top_all27_prot_lipid.inp
  This file has incorrect atom types listed for some of the sidechains
on the heme cofactor. The heme should not have any atoms of type C.

Ralph Jimenez, Ph.D.
JILA and Department of Chemistry
440 UCB
University of Colorado, Boulder
Boulder, CO 80309-0440
Tel: (303) 492-8439
FAX: (303) 492-5235

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