[gmx-users] Can not stop center of mass: maybe 2dimensional system

philip han chenzhihong03 at hotmail.com
Mon Feb 25 22:21:24 CET 2013

Hi, all gmx-users,
 I am trying to simulate a system of an ion restrained at the center of
water cluster. So I set pbc = no, used "cut-off" for coulomb and vdw.  To
restrain the ion at the center of water cluster, I used COMM-pulling. Set
water molecules and the ion in two groups, and applied distance pulling.
Also, I set 
nstcomm             =  10
comm_grps           =  system
comm_mode           = Angular, 
But the simulation stopped right after , and error is" Can not stop center
of mass: maybe 2dimensional system". If I did not remove center of mass
motion, the whole system drifted a lot and my system messed up. Could
someone give me advices on how to solve this problem? thanks

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