Also add
export AMBERHOME=/home/xxx/Desktop/amber14
export PATH=$PATH:$AMBERHOME/bin <<< add this line
Best Regards
Elvis Martis
Ph.D. Student (Computational Chemistry)
at Bombay College of Pharmacy
A Kalina, Santacruz [E], Mumbai 400098, INDIA
W www.elvismartis.in
Skype. adrian_elvis12
-----Original Message-----
From: Ayesha Kanwal [mailto:ayesha_comsian.hotmail.com]
Sent: Tuesday, February 07, 2017 3:40 PM
To: amber.ambermd.org
Subject: [AMBER] how to solve syntax error issue
Hi all,
I have amber14 on my system and using antechamber to prepare ligand prmtop & inpcrd file. i have set the following path:
export AMBERHOME=/home/xxx/Desktop/amber14
i am using protein pdb sample given on antechamber website and following same command as an example
i have pasted sustiva.pdb file in amber14 folder.
but when i have used command
reduce sustiva.pdb > sustiva_h.pdb
every time it is generated syntax error
even i have also checked this command after pasting sustiva.pdb file in bin folder where tleap has already exist.
I don't know what is the reason behind it.
any suggestions?
Regards
Ayesha
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Received on Tue Feb 07 2017 - 04:30:02 PST
