Dear Amber users,
I have used a mol2 file to create a topology file with this very simple
tleap script:
x = loadMol2 mymolecule.mol2
saveOff x mymolecule.lib
quit
I was wondering if there are any sort of internal checks and tools to
detect possible errors in file mymolecule.lib
Jose Borreguero
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Received on Tue Aug 20 2013 - 16:30:03 PDT