[gmx-users] about Rg
lecielll at googlemail.com
Fri Sep 3 21:11:13 CEST 2010
I am calculating Rg for a system having 8 polymer chains. System is
copmressed in 10 ps to the final system size. Rg without nmol option varies
between 13 to 2 nm (0 to 10ps ) and remains constant over the whole
simulation. Rg with -nmol 8 gives values between 4 to 1.5 nm. nmol is said
gives Rg for nmol number of molecules to be analyzed. What does Rg refer to
if command is used without nmol?
I dont realize why results are different and why they demonstrate.
Thanks for your comments
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