Re:Re: Periodic Boundary conditions

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

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