Hello,
I am woundering if I should equilibrate explicit solvent molecules with the protein harmonically restrained (fixed) and then equilibrate the whole system. Or does DS do this automatically? I usually minimise the solvation box from the "solvate" > "Minimisation" drop down list. and how would I check the density of my system?
I am woundering if I should equilibrate explicit solvent molecules with the protein harmonically restrained (fixed) and then equilibrate the whole system. Or does DS do this automatically? I usually minimise the solvation box from the "solvate" > "Minimisation" drop down list. and how would I check the density of my system?
