VMD-L Mailing List

From: Stanley, Yemin Shi (shi_yemin_at_yahoo.com)
Date: Tue Mar 18 2008 - 22:17:50 CDT

Dear all,
I have a question on the displaying setting of a bond breaking procedure.
Basically, I have an .xmol trajectory file. The reaction site involves an S-H and an N.
The S--H bond is suppose to break up (2.18A) and H--N bond formated (1.2A) through the trajectory. This is properly displayed in Molden.
When it comes to VMD, neither the S--H break nor the H--N bond form? Any suggestions pls.

Thanks for time
Stanley