[AMBER] MD Output File

From: Wong Li Zhe <Wong.LiZhe.student.imu.edu.my>
Date: Tue, 17 May 2016 07:56:59 +0000

Dear AMBER users,


Realized that when I viewed the MD output file, every 1000 steps, it generated a text line where:

RE_position moving by 1.048196 0.478082 -0.414174.

Does that means that the molecules are moving and SANDER state the coordinates every 1000 steps?


Thank you.


Best regards,

Li Zhe


[http://imu.edu.my/e-banner/fisday-11June.jpg]
A rewarding career in healthcare begins here.
Join us at the Foundation in Science Info Day!
Find out more: www.imu.edu.my/fisday

_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue May 17 2016 - 01:00:04 PDT
Custom Search