[AMBER] Avoid pH Titration of LYS and TYR

From: R zu <rzu512.gmail.com>
Date: Wed, 27 Sep 2017 15:17:21 -0400

Hi. I am quite new to running MD simulations, and haven't ran any constant
pH simulation before.

Is it a good idea to avoid titrating lys residues and some tyr residues?
I hope that would give me a simulation with less unnecessary solvent / side
chain reorganization.

Are there any common artifacts in constant pH simulations?

Thank you.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Sep 27 2017 - 12:30:02 PDT
Custom Search