[gmx-users] A question on comm_grps option
    Hwankyu Lee 
    leehk at umich.edu
       
    Wed Feb 11 20:55:01 CET 2004
    
    
  
Dear, gmx-users,
I'm running a system that there are two monolayers which has a peptide 
for each like picture.
IIIIIIIIIIIIIIIIIIImonolayer
     (Pep)
    (water)
     (Pep)
IIIIIIIIIIIIIIIIIIImonolayer
Initially, I set up peptide in the middle of the monolayers, but when I 
ran this system first time, I could see that the peptides were moving 
to the edge of the monolayers.  I then used "comm_grps" option like 
"comm_grps = Lower_lipids Upper_lipids", which means I removed center 
of mass motion of two monolayers. After that, it was shown that 
peptides were kept in the middle of the monolayers stably.  I would 
like to make sure if it is right because I'm wondering I also need to 
remove center of mass motion of water.
Do I need to remove center of mass motion of water ?
Could you give me any advice?
best,
Hwankyu.
    
    
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