Re: [AMBER] anionic Ser ?

From: FyD <fyd.q4md-forcefieldtools.org>
Date: Fri, 10 Mar 2017 15:08:38 +0100

Dear Michael,

See http://q4md-forcefieldtools.org/REDServer-Development/
     http://q4md-forcefieldtools.org/REDServer-Development/Documentation/
& more particularly:
http://q4md-forcefieldtools.org/Tutorial/Tutorial-4.php#16

regards, Francois

PS ff99SB, ff12SB and ff14SB, from what I know, use the same charge
derivation method...


> 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.



           F.-Y. Dupradeau
                 ---
http://q4md-forcefieldtools.org/FyD/


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Received on Fri Mar 10 2017 - 06:30:03 PST