Hi everyone,
I need to find a carbon dioxide forcefield through Sorption, starting from CVFF forcefield, using the following parameters:
O charge: - 0,100
C charge: + 0,200
Knowing that I use customized charges, keep in mind that I have to use the "Use current" modality as "Charges" field in the "Energy" contest in the "Sorption Calculation", I have one question:
Has the charge of each atom to be put inside the forcefield by the Forcefield Manager mandatory or can it be inserted through the "properties" windows, just making a click on the atom?
Thanks,
Lorenzo