[gmx-users] qmmm question

andrian andrian.chem at gmail.com
Tue May 10 11:12:51 CEST 2016

Dear gromacs users

in Dr Gerrits' qmmm tutorial, why section of [angles], [dihedrals] 
proper, & [dihedrals] improper in topology file for QM parts not ignores 
MM parameters ...?
it is only [bonds] section that ignores MM parameters..

anyone can explain ? Thank you


Andrian Saputra
Department of Pharmaceutical Science
Sumatera Institute of Technology, Indonesia

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