[AMBER] Oxygen parameters for AMBER99SB-ILDN

Contemporary messages sorted: [ by date ] [ by thread ] [ by subject ] [ by author ] [ by messages with attachments ]

From: Ebert Maximilian <m.ebert.umontreal.ca>
Date: Wed, 30 Sep 2015 17:04:27 +0000

Hi there,

I am looking for di-oxygen parameters for AMBER99SB-ILDN. I found an old post here in the mailing list with the suggestion to derive them but I wanted to know if somebody has some maybe already ready to share. Otherwise I found in the GROMOS FF a definition for O-O using ideal bond length of 1.23 Å and force constant of 1.66 107 kJ mol􏰂-1􏰉nm􏰂-2. Could I just use this?

Thanks for the advice.

Max
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Sep 30 2015 - 10:30:03 PDT