[gmx-users] dihedral

Prasad Gajula prasad.gajula at uni-osnabrueck.de
Wed Dec 13 16:22:48 CET 2006

Dear all,

For example, my peptide is rotating 50 degrees about a bond B-C, out of four
bonded atoms A-B-C-D.  I want to apply additional force on this
dihedral(B-C) during my simulation(only for this particular atoms to make it
rotate further till 180 degrees). All the remaining atoms in the peptide
will have normal force as usual.
May I ask you, how can I apply this in gromacs code.
Any help will be appreciated!

Thank you.
Best regards

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