Dear members,
I'm new to RASPA. I want to simulate ice-Ih configuration to compute enthalpy at a given T and P. Can I use Framework option to give the input configuration? I tried it, but the output showed that framework atoms-512 (which i gave) and adsorbate atoms (zero) and crashed after that.
Is the framework option is only for adsorption studies? Is there anyway I can give the .xyz coordinates of ice as an input configuration?
Thanks and regards,
Shivanand