[gmx-users] QM/MM support in Gromacs V3.3

Dong YuHui dongyh at mail.ihep.ac.cn
Fri Nov 25 15:19:12 CET 2005

Dear all,

I noticed that Gromacs V3.3 can enable the QM/MM support by configure 
--with-qmmm-mopac, but I don't know where to get the proper library of 
mopac. Does the libmopac.a in the website of Gerrit Groenhof work?

I do not know if anybody has the experience in QM/MM. Any suggestion is 


Yu-Hui Dong

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