[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?
Thanks
Qing Zhu
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