HI
Try using "which sander" (without quotes) and you know if the environments variables are correct.
#export AMBERHOME=/home/biopo5/Downloads/amber18
#export PATH=$PATH:$AMBERHOME/bin
Since you have used # the bash cannot read this line, remove the # and it should be fine.
Best Regards
Elvis A F Martis
Molecular Simulations Group,
Department of Pharmaceutical Chemistry,
Bombay College of Pharmacy,
Kalina, Santacruz [E],
Mumbai 400098,
INDIA.
Institute Web-address: www.bcp.edu.in
Research Group Web-address: www.profeccoutinho.net.in
Personal Web-address: www.elvismartis.in
________________________________________
From: Seketoulie Keretsu <sekekeretsu.gmail.com>
Sent: 06 December 2018 09:35
To: amber.ambermd.org
Subject: [AMBER] numpy related problem in amber
Dear Expert,
I am fairly new to linux and amber18 environment. I have recently
installed the amber18 package (successly). It seems like numpy is
correctly installed but cannot be detected. I assume it could be due
to problem related to PATH. Please correct me if I am wrong.
Amber was installed in : /home/biopo5/Downloads/amber18
my PATH
>echo $PATH
/usr/local/bin:/usr/local/sbin:/usr/bin:/usr/sbin:/bin:/sbin:/home/biopo5/Downloads/amber18/bin:/home/biopo5/.local/bin:/home/biopo5/bin:/amber/exe:/usr/local/gromacs/bin:/usr/local/gromacs/bin
As per some online searches i have added some line to the .bashrc file
(shown below)
# .bashrc
# Source global definitions
if [ -f /etc/bashrc ]; then
. /etc/bashrc
fi
# Uncomment the following line if you don't like systemctl's auto-paging featur$
# export SYSTEMD_PAGER=
# User specific aliases and functions
export PATH=$PATH:/usr/local/gromacs/bin
#export AMBERHOME=/home/biopo5/Downloads/amber18
#export PATH=$PATH:$AMBERHOME/bin
test -f /home/main/Downloads/amber18/amber.sh && source /home/main/Downloads/am$
I am not sure if the PATH are correctly added, please advise regarding
my PATH to add amber properly. Also numpy was supposed to be installed
(as per ./configure of amber) why do i still get the "ImportError: No
module named numpy". Please advise.
Thank you.
Seke
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Received on Wed Dec 05 2018 - 21:00:02 PST
