AMBER Archive (2003)

Subject: van der Waals term

From: David (p9690409_at_dec4000.cc.ncku.edu.tw)
Date: Thu Jul 10 2003 - 01:47:34 CDT

Dear AMBER reflector:

Hello, I am a graduate student from Taiwan. I sent AMBER question before.

I have another AMBER force field questions as below:

1. In van der Waals energy term, how to get Rij ( the straight distance
between two atoms)?

2. How to get van der Waals parameters Aij and Bij ?

Wish you can give me some suggestions. Be very grateful to you!

Best Regards.

David