[gmx-users] protonation state

[Wei Fu]

Hi, all,

     When I consider the protonation state on dopamine receptor I found that in "pdb2gmx -inter" there is no option for ARG residue, why so? I think ARG is also an improtant residue for protonation state and I would like to consider its protonation state, how do I consider it?  Or am I wrong?

     Thanks for any reply in advance!

Fuwei

******************************************

      Ms. Wei Fu, Ph.D.
      State Key Laboratory of Drug Research     
      Shanghai Institute of Materia Medica
      Chinese Academy of Sciences         
      294 Taiyuan Road
      Shanghai, 200031        
      P.R. China
      wfu at mail.shcnc.ac.cn  or  fuweifw at yahoo.com
      wfu at iris3.simm.ac.cn