[gmx-users] g_select

[SEMRAN İPEK]

Dear gromacs users;

I have been trying to find out the waters close to certain residue. Here is
my selection dat:

waterO = name "OW";
close = waterO and within 0.35 of resnr 334;
close


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I have been using the command of "g_select -f md_30.xtc -b 30000 -e 30000
 -s md_30.gro -oi index.dat -sf selection.dat"

Somehow the code sometimes finds the waters within 0.35 nm of residue  and
sometimes finds the waters too far away from protein (30 nm away .)



Could you please guide me along the process for g_select?


Best Regards;