Re: [AMBER] xleap as a molecular viewer

From: Gustavo Seabra <gustavo.seabra.gmail.com> Date: Tue, 17 May 2011 14:12:08 -0300

--
Sent from my iPad.
On May 17, 2011, at 10:12 AM, "Guenegou, Guillaume [ORDFR]"
<GGUENEGO.ITS.JNJ.com> wrote:
> Dear all,
>
> I would like to use xleap as a molecular viewer (I know it is not the
> best idea on earth, but I have to!). I believe it is possible. I work
> with Amber11.
>
> My command is: $AMBHOME/exe/xleap -f leap.in
>
> leap.in =
>
> source leaprc.ff03.r1
>
> source leaprc.gaff
>
> complex = loadPdb file.pdb
>
>
>
> Is there anything I am doing wrong?
>
> Regards,
>
> G.GUENEGOU
>
>
>
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