Dear all,

My advisor asked me to calculate the spring constant of one polymer chain. I used AMBER steered MD simulation to fix one end and compress the polymer to a globular conformation. The potential changed with end-to-end distance as attached figure. But my advisor did not like this result. She asked me to use MS to do this. I did not find any information about steered MD simulation in MS8.0. I had no clue how to do this in MS8.0.

Could you give some suggestion?

Thanks,

Christo.