[AMBER] Geometric hard constraints

From: Charo del Genio <the.paraw.gmail.com>
Date: Wed, 7 Nov 2018 10:44:16 +0000

Hi all,
        is it possible to impose geometric hard constraints in Amber? What I mean with this is precluding atoms from crossing over certain boundaries, or otherwise accessing some parts of the space, as if a
"wall" existed. In the simplest form this could be a plane, for example the plane z=0, so that no atom with an initial positive z coordinate can cross the plane and end up in the z<0 region. So, is
there such a possibility?



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Received on Wed Nov 07 2018 - 03:00:02 PST
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