Dear all,
I've never used materials studio and I want to do molecular dynamics of a few polystyrene oligomers solvated in toluene. Can anybody please tell me where should I start? I am looking for relevant tutorials on how to:
1. grow a single polymer chain
2. pack a few of the polymer chains in a box
3. insert the solvent molecules
4. select an appropriate force-field for the polystyrene and the toluene
5. Relax the conformation
5. carry out the equilibrium MD simulations in a remote (LINUX) cluster
I guess doing these tutorials should put me in a very good footing. Please let me know.
Thanks in advance,
Jose Borreguero