Hi there, I'm trying to run some surface electrostatic potential calculations on a protein in DS, then use the results to determine which atoms in the protein to place a harmonic restraint on when running an adsorption calculation in MS. Is there some way to either:

a) Place the restraint on the molecule in DS, when I can still see the results of the surface electrostatic potential calculation, in such a way that it will carry over to MS? Right now I'm saving the files in the PDB format, which doesn't retain such metadata.

b) Generate/view the surface electrostatic potential data in MS, so I can place the restraint on the molecule at that point?

I noticed that  both MS and DS have restraining capabilities, so using either one works for me.