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