[gmx-users] question about qm/mm

[Dong Yuhui]

Dear all,

I want to know the information about qm/mm in gronacs. Since I noticed that gromacs 3.3 provide the command line qm/mm=yes but I do not know how to use it.

Also I download the source code of Gerrit Groenhof, both v3.2 and v3.3 can not work: editconf encounter a severe bug in neighbouring searching. I can not contace with Gerrit, all emails sent have no response. Where is Gerrit?

I hope anybody has the experience in qm/mm will give me some suggestion.

Thanks a lot.

Yu-Hui Dong
Beijing Synchrotron Radiation Facility
Institute of High Energy Physics
Chinese Academy of Sciences
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