On Wed, Mar 18, 2009, Taufik Al-Sarraj wrote:
> Thank you i will try and fix the number of digits for the atoms. How did
> you find out the number of atoms that have no bonds? because i should
> remove those H and O that are floating around.
These were flagged in tleap as warnings, so you might check your
leap.log file, or run the script again and check the output carefully.
...dac
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Received on Fri Mar 20 2009 - 01:11:29 PDT