[gmx-users] MD simulation of metalloprotein

Biplab Ghosh ghosh.biplab at gmail.com
Tue Apr 28 07:29:27 CEST 2015

Dear All,

I am a beginner in MD and started with Gromacs. I would like to simulate
the dynamics of a homo-dimeric
protein containing  2 Mn atoms at the active site. I would appreciate any
sorts of help in this regards, e.g.,
please share your experience and/or relevant source in the web/published

Which force-filed would be appropriate? How can I take care of the metal

*With regards,--BG*

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