Hi,
I've typed echo $AMBERHOME and the path it's correct. Below are the commands
which added in ~/.bashrc file during installation process last time:
AMBERHOME=/home/sclee/Desktop/amber9
export AMBERHOME
export PATH=$PATH:$AMBERHOME/exe
export PATH=$PATH:/usr/local/openmpi/bin
export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/usr/local/openmpi/lib
export MPI_HOME=/usr/local/openmpi
Is there any other reason to explain the error in LEaP if the above commands
are correct?
Thank you for you help.
Lee.
On Wed, Jun 29, 2011 at 5:02 PM, Ross Walker <ross.rosswalker.co.uk> wrote:
> Hi Lee,
>
> When you closed the terminal and opened a new one you probably erased your
> setting of the AMBERHOME environment variable. Try:
>
> echo $AMBERHOME
>
> and see if it is correct. If not then you need to export it again.
>
> export AMBERHOME=/path/to/amber
>
> Then hopefully things should work. You can avoid this step by adding this
> export to your ~/.bashrc file so that it gets set for every terminal you
> open.
>
> All the best
> Ross
>
> > -----Original Message-----
> > From: Sheau Chen Lee [mailto:sheauchenlee.gmail.com]
> > Sent: Tuesday, June 28, 2011 8:23 PM
> > To: amber.ambermd.org
> > Subject: [AMBER] AMBER9- error in LEaP while learning MMPBSA tutorial
> >
> > Hi,
> >
> > I'm a beginner in AMBER and i'm using amber9. I accidentally close the
> > terminal while i was doing amber advance tutorial for mm-pbsa and LEaP
> > does
> > not function well after that. Error occurred after the first command
> > and
> > hence i can't proceed to the next step.
> >
> > sclee.sclee-Satellite-L645:~$ > $AMBERHOME/exe/tleap -s -f
> > $AMBERHOME/dat/leap/cmd/leaprc.ff99
> > -s: command not found
> > sclee.sclee-Satellite-L645:~$ com = loadpdb ras-raf.pdb
> > No command 'com' found, but there are 18 similar ones
> > com: command not found
> >
> >
> > The error did not appear before the terminal closed. May i know what
> > shall I
> > do?
> >
> > Thank you very much.
> >
> > Lee.
> > _______________________________________________
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> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
>
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Received on Thu Jun 30 2011 - 00:30:03 PDT
