[gmx-users] Force field for Cobalt topology??
zebamir85 at gmail.com
Mon Feb 6 15:08:37 CET 2017
Hello gmx users,
I'm wondering which would be the best force field to create topology for
cobalt. I tried different ff but none of them get the task. I searched the
mailing archive too but I couldn't get the way to solve the issue.
Dr. Justin has just mentioned (https://www.mail-archive.com/gmx
users at gromacs.org/msg46374.html) that there is no such suitable force field
yet to deal with transition metals correctly due to their lack of fixed
charge. But this was commented so back.
Let me know if the recent advances had solved such issue.
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