Cationic Dummy Atom models

From: Hok-Hei Tam (tamhok_at_gmail.com)
Date: Sun Mar 21 2010 - 16:31:39 CDT

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Dear NAMD community,

Has anyone tried using the cationic dummy atom model with NAMD using the
CHARMM27 force field successfully? My supposedly tetrahedral zinc and dummy
atom complex inverts into a square pyramid with the zinc at the apex upon
heating.

Thank you,

Hok Hei Tam
Dept. of Chemical and Biomolecular Engineering
The Ohio State University

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