[gmx-users] isomerization with RB diheadrals
MURAT CETINKAYA
cetinkayam at psu.edu
Wed Aug 9 05:50:53 CEST 2006
Hello gmx users,
I am trying to induce an isomerization by changing two RB-dihedrals. However, I
could not figure out how to do it by changing the available parameters. I
suppose it should be some +/- modification with the same magnitudes.
Nevertheless, I could not find any documentation about it. Any advice is
greatly appreciated.
quick question: Do I (also) have to modify the improper dihedrals in order to
satisfy planarity?
Thanks
Murat Cetinkaya
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