VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Sun Mar 09 2008 - 23:57:35 CDT

On Sun, Mar 9, 2008 at 11:44 PM, Dongsheng Zhang <zhdsheng21_at_gmail.com> wrote:
> Hi, VMD users,
>
> I tried to use pbc join bonded to prevent the break of bonded molecule
> due to periodic boundary condition. My procedure is as follows:
>
> 1. load the molecule
> 2. in VMD console, type: package require pbctools
> 3 type pbc join bonded -all, then VMD gives me:
>
>
> usage: pbc <command> [args...]
>
> Setting/getting PBC information:
> set $cell [options...]
> get [options...]
> readxst $xstfile [options...]
>
> Drawing a box:
> box [options...]
>
> (Un)Wrapping atoms:
> wrap [options...]
> unwrap [options...]
>
> It looks like that "join" is not a valid subcommand for pbc. Have I
> missed anything? Thank you for your help!

which version of VMD are you using?

axel.

>
> All the best!
>
> Dongsheng
>
> 

-- 
=======================================================================
Axel Kohlmeyer   akohlmey_at_cmm.chem.upenn.edu   http://www.cmm.upenn.edu
  Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.