[gmx-users] about Rg

Moeed lecielll at googlemail.com
Sat Sep 4 21:48:46 CEST 2010

Hello Justin,

Now I am using g_polystat for calculating Rg. However results are pretty
similar to those obtained from g_gyrate. The command line I am using is

g_polystat -f *.trr -s *.tpr -o polystat-mw  -n *.ndx -mw -xvgr -w

- I noticed -mw option does not change Rg. Also When I choose all chains in
index file Rg is exactly the same as choosinfg only the first chain! For
other chains Rg is different. Is it possible to get average Rg of all
chains? and compare with one single chain?
- I tried to get persistent length as well but -p option is not working. the
output file -p persist.xvg:

@TYPE xy
     0.000      nan
     0.100      nan
     0.200      nan
     0.300      nan
     0.400      nan
     0.500      nan
     0.600      nan
     0.700      nan
     0.800      nan
     0.900      nan
. .
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