From: leila karami (
Date: Thu Mar 10 2011 - 08:04:14 CST

Thanks Dear Dr.Olaf

Your means is that after loading .xyz file or HISTORY file (has box vector)
I select àextension àTK Concol, then i write pbc set {{3.460 0.000 0.000}
{1.730 2.997 0.000} {0.000 0.000 10.00}}
-namd -all
I did these process but I got this error” invalid command name “pbc”

Would you please explain more clearly?

Thanks in advance

Leila Karami
Ph.D. student of Physical Chemistry
K.N. Toosi University of Technology
Theoretical Physical Chemistry Group