[gmx-users] Re: Output for rmsd and radius of gyration doubts

Ewaru edina_wang at yahoo.com
Mon Mar 4 15:49:16 CET 2013


Hi Justin,

I tried running the simulation for 10ns and this time, my RMSD graph shows a
stable fluctuation of 0.45nm from 2.5ns to 10ns. The radius of gyration
shows stable fluctuation from 4ns to 10ns around 2.46nm. My doubt is,
shouldn't the RMSD be fluctuating at 0.1nm? Does it mean that my structure
is not stable? Or do I need to run more than 10ns of simulation? 

Please advice. :(

I attached a screenshot of the graph in case I didn't explain it well. 

g_rms
http://postimage.org/image/f4bkobtx9/

g_gyrate
http://postimage.org/image/gd86i2jpj/


Thanking you in advance.


Best wishes



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