Push ATP to active site of kinase!

From: Qiang Zhong (zqiang320_at_webmail.hzau.edu.cn)
Date: Thu Jul 12 2007 - 22:20:43 CDT

Dear NAMD users:
          I have a complex of ATP and kinase , ATP is far away from active site,
 I want to use tclBC push it into active site, I have test a tclForce , I find
 that after simulation the ATP has changed conformation . I think it is
 because the force only on one atom in ATP, Now I want to use tclBC, I think
 this maybe not change conformation of ATP, I have not example of tclBC,
 somebody could give me a script example? Thank you very much!
 Eager to receive your letter!

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:44:57 CST