Cationic Dummy Atom models

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

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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