MD on cytochrome

From: Mahadevan Seetharaman <>
Date: Thu 1 Aug 2002 16:15:52 -0500


I have just built a homology model of a cyochrome with heme and minimized
it in amber. I was wondering if there is a way to optimize the sidechains
by performing dynamics.

I couldn't use implicit solvent (problem with the heme Fe) and the system
is too big for explicit solvent simulations.

Any suggestions?

Received on Thu Aug 01 2002 - 14:15:52 PDT
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