[AMBER] anionic Ser ?

From: Michael Shokhen <michael.shokhen.biu.ac.il>
Date: Thu, 9 Mar 2017 13:23:25 +0000

Dear Amber experts,

I have on my Linux server Amber16 and AmberTool16.
I need to simulate by MD enzyme with deprotonated side
residue oxygen atom (anionic OG atom) of catalytic Ser.
The ff14SB force field used for the simulation
has no parameters for such a case.
What is the best way to resolve the problem?

Thank you,
Michael
<https://webmail.biu.ac.il/owa/redir.aspx?C=a160ef9b9a6b4d06992402715d3ee465&URL=mailto%3ashokhen%40mail.biu.ac.il>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Mar 09 2017 - 05:30:04 PST