[gmx-users] G_SDF if reference atoms are in different residues

You could use g_spatial instead as that program requires you to do the reference calculation yourself with trjconv. I have not tried g_sdf in a while, but if you still would rather use that program, then you might be able to trjconv your own alignment and then somehow fool g_sdf into not do

[gmx-users] G_SDF if reference atoms are in different residues

Dear Users, I want to calculate the spatial distribution function of lipid headgroups around a protein residue. Because I am using a coarse-grained model each 'residue' is a single CG particle. This means that when defining the 3 reference groups that define the local coordinate axes I have no