Dear experst,
I have got the .itp and .gro files for a drug and a nanosheet from a paper. Then I made the posre file for them using the genrestr command and performed MD simulations on them separately for 50 ns. Now, I want to perform MD simulation on the nanosheet-drug system. But, I did not include the parameters of .itp files in the force field. So, is it possible to continue simulations only with the .itp files and without including the parameters in the force field?
Best Regards,
Farideh