Dear Materials studio's users,
I am performing MD simulations using Forcite dynamics module. Prior to MD simulations, I defined ch4 molecules using a single carbon and modified element properties (changed vdw radius to 3.73 A and mass to 16.00), and select dreiding force field and typed the epsilon and sigma values for ch4.
After that, ı performed fixed loading in sorption module using the same force field. Then I performed MD simulations starting from the lowest energy configuration. My simulation results seem reasonable but I am confused because when I want to look at the force field parameters after simulations, I just see the following:
I see only the parameters for CH4. How can I see the other atoms? When I label the atoms in the structure according to forcefield type, I just see C1. I just want to add Ch4 interactions but for the others I consider that dreiding assign automatically. Could you pleae help me about this issue?
Best
ilknur
