Date: Sat Jan 03 2004 - 05:18:48 CST
I want to do MD for an enzyme-ligand system to study the coordinate number of
zinc ion of the enzyme. However I find I get different result when I run the same
*.conf file many times. Some results are in good agreement with experimental X-ray
data, and some are not. I am so surprised with it. Would you like to tell me
what's wrong with it? Thank you!
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:38:20 CST