Hi Pers,

thank you for reply. I'm trying to add these missing atoms with your guideline, but I don't know if all parameters that I'm going to add are corrects. When you have a time, can you add these missing atoms in the program or can you help me to create a correct substitution of these atoms? Because I can try  to add the parameters in the five coloumns present but I should know if these values are right.

  thanks,

  francesca
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