[gmx-users] g_order question

Paymon Pirzadeh ppirzade at ucalgary.ca
Tue Aug 31 20:26:57 CEST 2010


Hello,
It is said in the mannual that g_order compute the order parameter per
atom for carbon tails. Can it also calculate order (degree of
tetrahedrality) for water molecules if only water oxygens are selected
in index file? The reference paper is for water molecules though. Also,
does it calculate an average value or give a profile as a function of
time?
thanks,

Paymon




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