Dear Community Members
Help me learn the aspects.
To model the LDH loaded drugs, I followed the following steps.
- Brusite is imported
- Mg2+ ions are substitutedpartially with Aluminum
- Drug is inserted
But, the drug is inserted on the top of Mg ions. Looking for the guidelines to place it in right place.
Similarly, looking for the guidance to proceed with the Simulations. Other than Gromacs, which othe software tool is ideal.