kinetic time in docking process
- From: Yong Liang Yang
<yonyang<<at>>ic.sunysb.edu>
- Subject: kinetic time in docking process
- Date: Tue, 2 Nov 2004 11:40:26 -0500 (EST)
Dear CCL users:
I have a question regarding the kinetic time in
the docking process using LGA method.(I am using Autodock)
How do I collect the information of kinetic times?
In another words, the time step that each final configuration
is reached from the initial state.
Another quesiton is that how could I change the temperature
in LGA method? In another words, I want to run the docking process
for a specific ligand under different constant temperatures.
It seems that the default temperature for LGA method is 300k.
Any input will be highly appreciated! Have a wonderful day.
Cheers
Yong