[gmx-users] Error in Coarse Graining the atomistic trajectory

[Anurag Dobhal]

Dear Gromacs users,

I am generating cg.gro using the below command, however the atoms
considered as centre of mass in the output file is not the part of
respective bead.

seq 0 1999 | g_traj -f AA/trajpbc.xtc -s AA/topol.tpr -oxt traj_cg.xtc -n
mapping.ndx -com -ng 2000 -b 20000

I am not aware of how to troubleshoot the above problem.
Any help will be highly appreciated.


*Anurag Dobhal*
*Graduate Student (Bioprocess Technology)*

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