[AMBER] Query about adding hydrogens

From: anu chandra <anu80125.gmail.com>
Date: Sun, 12 Jul 2015 01:38:54 +0530

Dear Amber users,

I am working with protein model building. I am planning to do MD simulation
of crystal structure and three different models of same protein. I just
have a quick query here regarding adding hydrogen to the structure. Do I
need to worry about the residue flipping while adding hydrogen, which
usually been done with programs like MolProbity? Will it be correct if I
directly add hydrogen through Amber leap program?

Many thanks in advance

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Received on Sat Jul 11 2015 - 13:30:03 PDT
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