[gmx-users] remove center of mass motion

Qing Zhu qing.zhu at ttu.edu
Thu Nov 16 22:13:04 CET 2006

Hi everyone,

I am using gromacs to simulate a lipid membrane. A very long run was 
finished before I realized that the center of mass motion of membrane 
and water should be turned off separately. Very obvious center of mass 
motions can be observed in the finished trajectory. So what I want to 
know is for the given trajectory I have now, can I remove the center of 
mass motion using any gromacs tool? I remember I asked this question 
once long time ago, and "trjconv" was suggested, but no further details 
were given. I tried "trjconv" with several options, and the center of 
mass motion is still there. So can anyone give the exact solution of the 
problem using either "trjconv", or something else?

Qing Zhu

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