[gmx-users] Perturbation from/to dummies

Ing. Vojtěch Spiwok Vojtech.Spiwok at vscht.cz
Thu Jun 5 14:04:01 CEST 2003


Dear GMX developers/users

Do you know about some source of information how
to do free energy perturbation from dummies to real
atoms and back (eg. aminoacid mutations) ? In the
manual I found only how to perturb from atom to atom.

Thank you

Vojtech Spiwok
ICT Prague




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