[gmx-users] RMSD from the average structure

bipin singh bipinelmat at gmail.com
Wed Apr 24 09:06:50 CEST 2013


Hi all,

Please let me know whether this is the right way to calculate RMSD from the
average structure from a simulation:

g_rmsf -f traj.xtc -s average.pdb -od rmsdev.xvg


average.pdb: is the pdb file produced using -ox option of g_rmsf.

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Thanks and Regards,
Bipin Singh*



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