Dear Accelrys Community;
Now, i want to decribe propane molecule as united atom model. for example, CH3 (Sp3), CH2 (Sp3) CH3 (Sp3) are considered as single interaction centers.
How can i do this? could you help me? Thanks a lot :)
Now, i want to decribe propane molecule as united atom model. for example, CH3 (Sp3), CH2 (Sp3) CH3 (Sp3) are considered as single interaction centers.
How can i do this? could you help me? Thanks a lot :)