From: Ralph Jimenez (rjimenez_at_jila.colorado.edu)
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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