Re: [AMBER] xleap syntax error

From: Ahmet yıldırım <ahmedo047.gmail.com>
Date: Thu, 5 Feb 2015 20:47:19 +0100

OK. I wont use the File menu :) I just used the commands in xleap but this
time i got a different problem.
I typed "xleap" on terminal. And then in xleap i typed: x=loadpdb xxx.pdb
Screen ouput:

Loading PDB file: ./xxx.pdb
Unknown residue: ARG number=0
.....
total atoms in file:1424

Whereas there are a few missing atoms in pdb file. But xleap didn't add
them. Why?



2015-02-05 19:40 GMT+01:00 David A Case <case.biomaps.rutgers.edu>:

> On Thu, Feb 05, 2015, Ahmet yıldırım wrote:
> >
> > I get "syntax error" when i load xxx.pdb file to xleap. Where is my
> mistake?
> > $AMBERHOME/bin/xleap -s -f $AMBERHOME/dat/leap/cmd/leaprc.gaff
> >
> > ERROR: syntax error
>
> Just to expand on what Dan wrote: in xleap you have to put something in the
> "variable" box at the top of the load-pdb widget.
>
> (Aside: most experienced people just type tleap-like commands into the main
> xleap window. I personally haven't used the File menu item in years. But
> it
> should work.)
>
> ...dac
>
>
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>



-- 
Ahmet Yıldırım
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Received on Thu Feb 05 2015 - 12:00:03 PST
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