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 ! B.Nataraj On Sat, 29 Jul 2006 14:45:14 +0200, "X.Periole" <[EMAIL PROTECTED]> 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 [email protected] > 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 [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php -- raja [EMAIL PROTECTED] -- http://www.fastmail.fm - Access your email from home and the web _______________________________________________ gmx-users mailing list [email protected] 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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
