[gmx-users] A question on g_gyrate

Hwankyu Lee leehk at umich.edu
Wed Jul 6 16:33:00 CEST 2005


Dear Gromacs-users,

When I run a job in a single node and measure radius of gyration 
(g_gyrate), I was able to have reasonable Rg. But, when I run a job in 
multiple nodes (parallel jobs), I couldn't have reasonable Rg and it 
was much higher.  I cannot understand why it happened.   If this is the 
case, could you tell me how to measure Rg when I run parallel 
simulations?

best,
Hwankyu.




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