To whom may have similar problem, that is how I solved it:
First of all, Gromacs by default uses center of mass removal (at least in
versions I use), but that is for 'whole system'. In my case I have a
two-component system and I am interested in collecting density for one of
the components.
So,
Hi,
Please some one help me how to remove center of mass motion in a trajectory
which is already created without this setting? is that possible?
thanks in advance,
Best regards
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Justin, thanks for comment.
In fact I am going to analyze g_density, but I see center of mass moves. I
have two-component system which has phase separated after a very long time.
I can't redo the simulation.
I could not mange that by tajconv.
Can I take the final .gro file of current simulation
On 11/13/15 4:06 AM, Faezeh Pousaneh wrote:
Hi,
Please some one help me how to remove center of mass motion in a trajectory
which is already created without this setting? is that possible?
Not using COM motion removal during the run leads to artifacts; no amount of
post-processing will
