[gmx-users] g_gyrate or g_polystat
argyriosk at yahoo.com
Sun Jun 15 01:02:38 CEST 2014
I calculate the radius of gyration (Rg) of polymer chains (N=200) in melt (dense melt of density 0.85).
using both g_gyrate and g_polystat commands. The g_polystat command gives a higher value of the radius of gyration, than the g_gyrate command. Approximately the Rg value is 2% higher using the g_polystat.
which command gives the most reliable value? and I should trust?
thank you in advance.
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