[gmx-users] About g_sdf in version 4.6.5.

[Henry Vider]

Dear all,

I have a system consisting of 10 solute molecules and two different solvents. When generating Radial Distribution Functions and selecting the solute molecule for reference, I get RDFs averaged over 10 solute molecules. However, when generating SDF .cube file, results cannot be properly visualized in VMD for some reason. This is not the issue when I have systems consisting of 1 solute molecule and generate .cube files for these systems.

I read in mailing list archives that SDF function does not average over several reference particles after version 3.x something. Is this still true with even newer versions, and also in 4.6.5?

Sincerely
Henry