???
On 11/14/2012 10:28 AM, klechward.wp.pl wrote:
> * Wiadomość oryginalna *
> Od:
> mailmd2011.gmail.com
> Wysłana:
> 09:05:15
> 14-11-2012
> Do:
> [AMBER Mailing List]amber.ambermd.org
> Temat:
> Re: [AMBER] problem for lipid GAFF
>
> hello Ross and Igor:
>
> thanks for kind advices. In fact my system was built from CHARMM-GUI
> and it already contains all necessary water for a system, so I don't
> need additonal water by tleap.
> I even know how large is the pbc box. I am just wondering, is it
> possible simply add the pbc box information to the system and my system
> can be centered in the pbc box?
>
> thank you very much
> best
> Albert
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Received on Wed Nov 14 2012 - 02:00:02 PST
