[AMBER] Lennard-Jones parameter for Sp, Sp2 and Sp3 Nitrogen

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

From: Ebert Maximilian <m.ebert.umontreal.ca>
Date: Mon, 19 Oct 2015 21:37:43 +0000

Hi list,

I was wondering why does AMBER and GAFF use the same LJ parameters for Sp, Sp2 and Sp3 nitrogen but has different values for O and C. Is it because C and O differ much more in there respected Sp hybridizations or did nobody look into enhancing the nitrogen part of the FF. I saw similar behaviour in CHARMM and OPLS. So I was wondering if there is a chemical/physical reason for it.

Thanks,

Max
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Oct 19 2015 - 15:00:03 PDT