[gmx-users] Pulling along dihedral angle as the reaction coordinate

neeru sharma neeru.bioinfo at gmail.com
Mon Apr 15 08:27:05 CEST 2013

Dear gromacs users,

I want to calculate PMF using pull code in gromacs, taking a psi angle as
the reaction coordinate.
I have a doubt where it is possible with the geometry options, currently
available in gromacs?

Thanks and regards


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