From: Axel Kohlmeyer (
Date: Sat Sep 13 2008 - 09:09:31 CDT

On Fri, 12 Sep 2008, Rabab Toubar wrote:

RT> Hi everyone,

RT> As explaines in the NAMD tutorial, aliasing a histidine residue
RT> depends on whether it is neutral or protonated, and if neutral,
RT> which tautomer. So how can I possibly know what is the state of the

from its pKs? and the intended pH of the environment??


RT> Thanks
RT> Rabab

Axel Kohlmeyer
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
If you make something idiot-proof, the universe creates a better idiot.