[gmx-users] dihedral energies

Martin Ulmschneider ulmschne at caspur.it
Mon Sep 6 17:19:34 CEST 2004


Hi,

I would like to twist two dihedrals simultaneously around 360 degrees 
and measure the potential energy (i.e. the forcefield energy). Is this 
possible with GROMACS and if yes does anyone know how to do it?

Thanks!
Martin




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