[gmx-users] A question on comm_grps option
leehk at umich.edu
Wed Feb 11 20:55:01 CET 2004
I'm running a system that there are two monolayers which has a peptide
for each like picture.
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?
More information about the gromacs.org_gmx-users