[AMBER] Magnesium in MMGBSA

From: Ahmed Ayoub <atayoub.ualberta.ca>
Date: Thu, 9 Jul 2015 20:27:53 -0600

 Dear Amber users,

I'm using MMGBSA with a system that has a magnesium ion. I keep getting
this message in the intermediate output files "_MMPBSA_complex.mdcrd.0 for

"Using carbon SA parms for atom type MG"

is that normal?

Ahmed Taha Ayoub
PhD Candidate, Theoretical and Computational Chemistry
W4-54, Department of Chemistry
11227 Saskatchewan Drive
University of Alberta
Edmonton, Alberta T6G 2G2
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Received on Thu Jul 09 2015 - 19:30:03 PDT
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