leelasd / ligpargen

A repository for tutorials and FAQ's about LigParGen
http://traken.chem.yale.edu/ligpargen/
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Error in generating topology of a ionic liquid anion #54

Open Satyam2101 opened 4 years ago

Satyam2101 commented 4 years ago

export BOSSdir=/var/www/html/ligpargen/apps/boss-4.9;/var/www/html/ligpargen/apps/anaconda2/bin/python2.7 /var/www/html/ligpargen/apps/ligpargenCode/Converter.py -s 'O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F' -r UNK -o 0 -c -1 > /tmp/errorServer.log Problem found in the file format. Please, check the input file. In case you are not able to find the error we suggests to use the SMILE code

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