[gmx-users] g_gyrate or g_polystat

Argyrios Karatrantos 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. 

More information about the gromacs.org_gmx-users mailing list