inclusion of solvation effect
Posted: Wed Oct 06, 2010 8:15 am
Is there any method to include an solvation (e.g., hydration) effect in VASP calculation job?
How about the use of hybrid method with TINKER or inclusion of implicit solvation model?
If so, would you let me know what I should do for it in detail, please?
Best regards,
Luke
How about the use of hybrid method with TINKER or inclusion of implicit solvation model?
If so, would you let me know what I should do for it in detail, please?
Best regards,
Luke