[gmx-users] g_sdf

Nilesh Dhumal ndhumal at andrew.cmu.edu
Tue Jan 4 20:26:00 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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