[gmx-users] is it possible?

Albert mailmd2011 at gmail.com
Mon Nov 12 16:29:06 CET 2012


  Recently, in a released paper I found that some one claimed they've 
observed a Asp is protonated and deprotonated from time to time during a 
micro second MD simulation by Gromacs. I am still curious about such 
kind of observation. Does anybody else observe a covalent bond can be 
broken in normal MD simulations?

thank you very much

More information about the gromacs.org_gmx-users mailing list