[gmx-users] equilibration & g_rdf

Magnus Andersson magnus.andersson at chembio.chalmers.se
Tue May 31 14:23:17 CEST 2005


Hi,

I've done a 500ps simulation on my system and got the advice to equilibrate it. Does 
this mean to just make a new simulation run (that's what I did at least...).

Also, when using make_ndx for including ions for g_rdf I got the advice to write 
a C* & ! a CL     (this is for g(r) C_CL, but what does the & and ! mean?)
And why a star after the name of the atom?

Cheers / Magnus Andersson 
------------------------------------------------------------------------------------------------------------------
Magnus Andersson                               magnus.andersson at chembio.chalmers.se
Chalmers University of Technology      Phone +46(0)31 7733917
Dept. of Chemistry and Bioscience
------------------------------------------------------------------------------------------------------------------



More information about the gromacs.org_gmx-users mailing list