I am getting an error in xleap module of Ambertools 14 in which it is unable to find leaprc nor anyother file i added to respective folders as said in this tutorial http://www.mayo.edu/research/labs/computer-aided-molecular-design/projects/zinc-protein-simulations-using-cationic-dummy-atom-cada-approach
Help will be very much appreciated.
Daniel R Roe
Hi,
Have you tried sourcing amber.sh (bash) or amber.csh (c-shell) in $AMBERHOME first? Hope this helps,
-Dan
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Seshank Mutya
The trick is to directly put it in ur working directory or just add it as source manually from the options on xleap
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