[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?

Murat Cetinkaya

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