Calculating macroscopic properties

From: poker_at_physics.usyd.edu.au
Date: Mon Apr 30 2007 - 21:38:37 CDT

I have parametrised a pyroglutamic acid residue using CHARMm27 topology /
parameters, and I wanted to test what I have against experimental
properties. Is there a way to calculate things like melting point in NAMD,
or do I need to use something else?

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