Re: Periodic Boundary conditions

From: Jim Phillips (
Date: Wed Jun 01 2011 - 13:08:55 CDT

A constant pressure method such as Langevin piston will allow the cell
dimensions to vary. PME is compatible with constant pressure methods.


On Wed, 1 Jun 2011, wrote:

> Hi, NAMD Users.

I read the tutorial, the user's guide and archive.

But I could not find the way to change the cellBasisVector
of Periodic Boundary conditions into variable number.
That is, I hope that the cellBasisVector is not constant value but time-variable value.

Please tell me the way to change that.
Then similarly, I hope that PME is time-variable value.

If this is a poor question, I'm sorry.
I'm beginner of NAMD and English.

Ishii Kai

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