[gmx-users] Fe(II) at active site

raja raja_28 at fastmail.us
Sat Jul 29 15:17:42 CEST 2006

Hi XAvier,
Well, you made a point of "Ions are big issue in MD simulations". Could
you please hint me what possible issues, so I can 
search relavent to those keywords.

With thanks !

On Sat, 29 Jul 2006 14:45:14 +0200, "X.Periole" <X.Periole at rug.nl> said:
> Raja,
> > Thanks for your opinion. This is my maiden attempt to 
> >simulate a protein
> > so the reason for the mistake. If possible could you 
> >please refer me
> > some paper, which describe the simulation of a system, 
> >contains Fe (II)
> > at its active site. I tried my best, but could not find 
> >a one.
> I am affraid that there are not much of this type of 
> study.
> Ions are a big issue in MD simulations ! I personaly can
> not remember any with Fe-II !!
> May be other users could point you to such studies.
> Sorry,
> XAvier
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
  raja_28 at fastmail.us

http://www.fastmail.fm - Access your email from home and the web

More information about the gromacs.org_gmx-users mailing list