How to run NVT simulations without applying periodic boundary conditions?

From: Yinglong Miao (
Date: Wed Feb 20 2008 - 12:16:13 CST

Dear NAMD developers/users,

It has been discussed about running NVT simulations with applying periodic
boundary conditions (PBC). But can anyone tell me whether NAMD provides the
option to run NVT simulations without applying PBC (i.e., the system in a
SINGLE constant closed volume)? I think it's much easier to implement, but I
haven't found any related simulations. If the option is provided, how to set
the configuration parameters for the simulations?


Yinglong Miao
Ph.D. Candidate
Center for Cell and Virus Theory
Chemistry Department, Indiana University
800 E Kirkwood Ave Room C203A, Bloomington, IN 47405
Tel: 1-812-856-0981

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