ndhumal at andrew.cmu.edu
Wed Jan 5 02:56:49 CET 2011
I am trying to calculate g_sdf for my system (ionic liquids + water).
I interested in distribution of anions and waters around cations.
I used following command
g_sdf -f 3.trr -n emi-etso4-64-no.ndx -s 3.tpr -o -r -mode 2
I found all the corrdinates in refmol.gro are zero.
I calculated distribution of anions around cations
g_sdf -f 3.trr -n emi-etso4-64-no.ndx -s 3.tpr -o -r
I got proper corrdinates in refmol.gro.
Why I am getting corrdinates zero for mode 2.
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