Re: [Open Babel] Prevent addition of H during minimization

Hi Hetal, As I always comment, "OB is not adding hydrogens. The hydrogens are already there, just implicit." That is, your original MOL file is in fact Li(OH)2 (but you can't tell that unless you are familiar with the MOL file spec). How are you creating the input file? Is there a way to set the

[Open Babel] Prevent addition of H during minimization

Hi, I am trying to use minimization feature using uff but it is adding hydrogens to fill the shell. How do I prevent from addition of any additional atoms beyond what is in the input file. Here is a same input and the command I am using. Input.mol 3 2 0 0 0 0 0 0 0 0999 V2000