We have users interested on setting up simulations with multiprotic acids and bases. While this should be possible to be done within pyMBE, we need to do a few adjustments:
We should also think if there is any generalization we should do when combining the GRxMC method with multiprotic acids or bases. @gnshb has volunteered to develop this feature.
We have users interested on setting up simulations with multiprotic acids and bases. While this should be possible to be done within pyMBE, we need to do a few adjustments:
We should also think if there is any generalization we should do when combining the GRxMC method with multiprotic acids or bases. @gnshb has volunteered to develop this feature.