Re: PBC without solvent

From: CUI, Guanglei <>
Date: Tue, 18 Mar 2003 09:58:41 -0500 (EST)

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
Received on Tue Mar 18 2003 - 15:53:01 PST
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