Dear Axel,
Thanks for your reply. I try to describe my problem clearly this time.
I follow example/KAPPA/in.langevin to write a NEMD script.
I use version 10Feb15, and my data file is in the attachment.
Here is my input script:
Dear Axel,
Thanks for your reply. I try to describe my problem clearly this time.
I follow example/KAPPA/in.langevin to write a NEMD script.
I use version 10Feb15, and my data file is in the attachment.
Here is my input script: