Hi, Dan!
Thank you for your responce
but I stil have problems with xleap :)
I've compiled AmberTools with default options listened in manual but xleap
have not been installed ( it present only in the scr ). There is only shell
version tleap.
What should I do to install xleap in the alrady built ambertools?
James
2011/10/30 Daniel Roe <daniel.r.roe.gmail.com>
> Hi,
>
> http://ambermd.org/tutorials/
>
> Particularly tutorial B1 should help you get started.
>
> On Sun, Oct 30, 2011 at 3:45 AM, James Starlight <jmsstarlight.gmail.com>
> wrote:
> > Also It's not quite understand for me how properly run different amber
> > tools programs.
> >
> > E..g from subdirectory /own/Documents/amber11/AmberTools/bin
> > I can run all programs but from another directory that programs are not
> > aviable ( I've add the Bin to the path but it didnt work )
>
> For AmberTools to work properly you need to both set the environment
> variable AMBERHOME and add $AMBERHOME/bin to your path. For bash this
> is:
>
> export AMBERHOME=/own/Documents/amber11
> export PATH=$AMBERHOME/bin:$PATH
>
> For tcsh/csh this is:
>
> setenv AMBERHOME /own/Documents/amber11
> setenv PATH $AMBERHOME/bin:$PATH
>
> > Finally as I understood LEAP have GUI. How I can run this one ?
>
> Use xleap. To view the molecule once you've created/loaded it, use the
> 'edit' command, e.g.:
>
> source leaprc.ff10
> m = loadpdb mypdb.pdb
> edit m
>
> See the AmberTools manual for more details. One note: due to a small
> bug in xleap make sure NUMLOCK is off in order to properly access the
> menus. Good luck!
>
> -Dan
>
>
> --
> -------------------------
> Daniel R. Roe, PhD
> Postdoctoral Associate
> BioMaPS Institute, Rutgers University
> 610 Taylor Road
> Piscataway, NJ 08854
>
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>
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Received on Sun Oct 30 2011 - 09:00:03 PDT
