[gmx-users] question about qm/mm
dongyh at mail.ihep.ac.cn
Thu Nov 24 09:58:58 CET 2005
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.
Beijing Synchrotron Radiation Facility
Institute of High Energy Physics
Chinese Academy of Sciences
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