[AMBER] Which atomtype in Amber99sb FF correspond to the Nitro atomtype of GAFF

From: bipin singh <bipinelmat.gmail.com>
Date: Thu, 4 Sep 2014 12:58:45 +0530

Dear All,

I have used GAFF to assign the forcefield parameters for a ligand molecule
using antechamber, now I want to simulate the ligand-protein complex using
the Amber99sb force field. But I could not find the corresponding atomtype
in Amber99sb for Nitro atomtype ("no") of GAFF. Can anyone provide some
insight on which atomtype in the Amberr99sb corresponds to the Nitro ("no")
atomtype in GAFF.

Thanks and Regards,
Bipin Singh
AMBER mailing list
Received on Thu Sep 04 2014 - 00:30:02 PDT
Custom Search