AMBER Archive (2003)

Subject: Re: PBC without solvent

From: CUI, Guanglei (cuigl_at_morita.chem.sunysb.edu)
Date: Tue Mar 18 2003 - 08:58:41 CST

Good morning!
Leap command "setbox" can add periodic box without putting solvent. It
may be what you need.

On Tue, 18 Mar 2003, Franck Chevalier wrote:

> Good Afternoon,
> I have a new question about using Periodic boundary condition in AMBER
> 6.0. Is it possible to run PBC dynamics without including solvent in my
> input files (.crd and .top)? I would like first to equilibrate my system
> with PBC before adding the solvent (water). I read that the dimensions
> of the box have to be written in the .crd and .top files.
> Could you please help me again ?
> Thanks a lot,
> Franck
>
> 

-- 
Guanglei Cui
Dept. of Chemistry
SUNY at Stony Brook
Stony Brook, NY 11790