VMD-L Mailing List

From: sunyeping (sunyeping_at_aliyun.com)
Date: Sat Feb 11 2017 - 13:45:42 CST

Dear all,In MD simulation sometimes big jump and sepration of chains occur because of wrapping when they reach the boundary of the periodic bound.  Somethings by using
pbc unwrap -all
this can be reversed. However, this command doesn't work sometime. Is there another commnad which can do this job?
Best regards.
Yeping Sun