[gmx-users] Maximum number density in gmx densmap

Alex alexanderwien2k at gmail.com
Tue Feb 12 11:20:39 CET 2019

Dear all,
Using the gmx densmap I have calculated the 2D density number in x-y plain
for a droplet containing 58 molecules. With nm^-3 (nm^-2) as unit the
maximum number density turn out to be 97.83 (738.38). I wonder what exactly
has been counted here as the representative of each molecules? Is it for
instance the center of mass of each molecule?
And is the gmx densmap exactly the gmx density but in two dimensions?

Thank you,

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