[gmx-users] Pr reach and not reach to equilibria

hazizian hazizian at razi.tums.ac.ir
Sun Oct 26 14:42:26 CET 2008

Hi gromacs users 
 I have done Position restrain for 50 ps. 
 after it had finished, I checked the rmsd for confident that rms reached to 
 it's equilibrate mode. When I check it by g_rms command and select system 
 subgroup, I find that it had not reached to equilibria, but after I check  
It by protein or protein-H or any subgroup, I saw that rmsd reached to Plato 
 after 5 ps, and when I checked it by Sol subgroup it had not reached,my 
 question is, can I use the result of this pr for md or I must continue it 
 until the whole system (protein  sol) reaches to equilibria 

Tehran University of Medical Sciences

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