AMBER Archive (2000)

Subject: Periodic Boundary Condition

From: Kouji Hayama (hayama_at_lance.mecha.osakafu-u.ac.jp)
Date: Mon Jul 31 2000 - 00:11:53 CDT

Dear Amber users.
I am using the Amber 6 on Linux.
I want to run the Periodic Boundary Simulation.
So, I did ....

1. I made the system protain and waters(box) by using xleap.
2. I run the minimization.
3. I run the MD with NTB=1(constant volume).

But the system expanded.
Would you tell me how to run MD with Periodic Boundary Condition.
Thank you.