Re: [AMBER] Command for making atoms rigid

From: Dr. Anselm Horn <>
Date: Wed, 15 Jul 2020 17:38:56 +0200

> What will be the command for making some atoms rigid in a polymer chain? I> want that they will not be moved during the energy minimization.
you can use restraintmask and restraint_wt to apply harmonic restraints
to some atoms of your system. Have a look into the manual for the
details. Note, however, that the atoms are not frozen, but may move



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Received on Wed Jul 15 2020 - 09:00:04 PDT
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