[AMBER] On QM/MM dummy atom and deprotonated TYR

From: David Sáez <davidsaez.udec.cl>
Date: Thu, 6 Feb 2020 19:38:55 -0300

Hello everyone,

I need a deprotonated TYR in my molecular dynamics simulation. I used
parmed > changeProtState as suggested in many posts. It worked well for the
MM part, but in the QM/MM section the software still "sees" the proton of
TYR (I think it became a dummy atom during the MM simulations). Is there a
way to keep it as a dummy atom?

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Received on Thu Feb 06 2020 - 15:00:02 PST
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