Re: [gmx-users] Parameterization of a molecule containing a radical (oxygen)

Simone Cirri wrote: Hi all, I have a question regarding a new parameterization: actually, I'm wondering whether or not it is possible to do it. The molecule is tempol; you cand find its PubChem entry here http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=137994&loc=ec_rcs

[gmx-users] Parameterization of a molecule containing a radical (oxygen)

Hi all, I have a question regarding a new parameterization: actually, I'm wondering whether or not it is possible to do it. The molecule is tempol; you cand find its PubChem entry here http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=137994&loc=ec_rcs As you can see, the problem of this mol