infinite nanotubes with PBC in NAMD?

From: Nicolas Winter (n-winter_at_northwestern.edu)
Date: Wed Nov 08 2006 - 10:33:11 CST

Hi All,

Is it possible to simulate infinite length single wall nanotubes in NAMD
using periodic boundary conditions? I tried making the nanotube the
length of the unit cell, then turning on PBC but I'm having trouble
getting the system to minimize. Any insight would be appreciated!

Nick

-- 
____________________________________________
Dr. Nicolas D. Winter
Postdoctoral Fellow - Schatz Group
Department of Chemistry
Northwestern University
2145 Sheridan Road
Evanston IL  60208-3113
phone:  847-467-4984    fax:  847-467-4996
email:  n-winter_at_northwestern.edu

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