[gmx-users] about Rg

Moeed 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

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20100903/1921853a/attachment.html>

More information about the gromacs.org_gmx-users mailing list