Re: writeback periodic cell info in dcd output

From: Jérôme Hénin (jerome.henin_at_uhp-nancy.fr)
Date: Mon Feb 21 2005 - 17:49:55 CST

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Marc,

Use "DCDunitCell yes"

Cheers,
Jerome

Le lundi 21 Février 2005 23:16, Marc Q. Ma a écrit :
> Dear everyone,
>
> I am using NAMD2.5 to run simulations with wrapAll turned on and under
> periodic conditions. However, it seems that the dcd file does not
> contain the periodic cell info. When I load my psf and dcd files to
> vmd, and check a, b, c values, they are all 1.
>
> Does anybody know how to set the NAMD options so that the PBC info is
> included in the DCD output?
>
> Thanks in advance.
>
> Marc

-- 
Jérôme Hénin
Equipe de Dynamique des Assemblages Membranaires
Université Henri Poincaré / CNRS
Tel : (33) 3 83 68 43 95        Fax : (33) 3 83 68 43 71
http://www.edam.uhp-nancy.fr/

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