infinite nanotubes with PBC in NAMD?

From: Nicolas Winter (
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!


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

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