[gmx-users] Re: [gmx-developers] Hexagonal prism

[David van der Spoel]

On Tue, 17 Feb 2004, Simon Wang wrote:

>Hi, David:
>
>I've installed GROMACS 3.2.0 and tried the new version of trjconv. 
>Unfortunately I still could not get the right size of hexagonal prism. I 
>tried the following things:
>trjconv -pbc whole -ur compact
>trjconv -pbc com -ur compact
>
>However, there is no option like "compact" for -pbc. If this is a bug, do 
>you ever have plan to fix it in the near future?

it's not necessary.

trjconv -pbc inbox -ur compact does what you want.

please put further questions to the mailing list only.
>

-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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