From: ishiikai08_at_yahoo.co.jp
Date: Thu Jun 02 2011 - 03:14:12 CDT
Dear Jim
Thank you for your reply.
I have a question.
Can I make the cell dimensions into time-variable value?
In other words, for example, is it possible that the cellBasisVector increases as time passes?
If this is a poor question, I'm sorry.
Ishii Kai, Japan
>
> Jim Phillips <jim_at_ks.uiuc.edu> wrote:
A constant pressure method such as Langevin piston will allow the cell dimensions to vary. PME is compatible with constant pressure methods.
-Jim
On Wed, 1 Jun 2011, ishiikai08_at_yahoo.co.jp 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.
Thanks.
Ishii Kai
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:57:13 CST