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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