Dear Snoze,
The best thing is to create an input file for xleap. For instance;
-------------- xleap.in ---------------------
source leaprc.ff99
loadAmberParams frcmod.hemall
loadAmberPrep heme_all.in
---------------------------------------------
So, in linux, write the following:
xleap -f xleap.in
This will load the xleap with the above commands. When u use the command
'list' to see the structures loaded into xleap, u will see that there is a
structure called 'HEM'. That is the HEME molecule. Hope this helps.
Good luck,
On Thu, 2 Feb 2006, snoze pa wrote:
> Dear Ilyas
> thansk for your mail, I have these files in AMBER dir. But I don't know how
> to use the. Can you help me in this. I will higly appreciate your help.
> thanks
> snoze
>
> On 2/2/06, Ilyas Yildirim <yildirim.pas.rochester.edu> wrote:
> >
> > Dear Snoze,
> >
> > Here are prepin and frcmod files for HEME structure. Hope these helps.
> >
> > Best,
> >
> > On Thu, 2 Feb 2006, snoze pa wrote:
> >
> > > Dear Amber Users,
> > > Anybody has lib file for heme molecule. If yes please e-mail me.
> > > thanks in advance
> > > snoze
> > >
> >
> > --
> > Ilyas Yildirim
> > ---------------------------------------------------------------
> > - Department of Chemisty - -
> > - University of Rochester - -
> > - Hutchison Hall, # B10 - -
> > - Rochester, NY 14627-0216 - Ph.:(585) 275 67 66 (Office) -
> > - http://www.pas.rochester.edu/~yildirim/ -
> > ---------------------------------------------------------------
> >
> >
> >
>
--
Ilyas Yildirim
---------------------------------------------------------------
- Department of Chemisty - -
- University of Rochester - -
- Hutchison Hall, # B10 - -
- Rochester, NY 14627-0216 - Ph.:(585) 275 67 66 (Office) -
- http://www.pas.rochester.edu/~yildirim/ -
---------------------------------------------------------------
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Received on Fri Feb 03 2006 - 06:10:08 PST
