Date: Sun Apr 17 2011 - 13:53:35 CDT
The "trick" that some people use to steer two atom groups in different directions is to define one of them using the SMD part of NAMD while using tcl forces for the other. For a SMD pulling it should be pretty easy to build a script.
----Mensaje original---- De: changshanyan_1_at_yahoo.cn Fecha: 17-abr-2011 10:51 Para: <namd-l_at_ks.uiuc.edu> Asunto: namd-l: SMD for two steered directions
When I was using SMD method to simulate a transmembrane protein, I came into a dilemma. The tutorial only mentions how to define one single steered direction, but I need to define two directions to make it more practical. Is there any way to make it?
It would be my great honor to share thoughts with you and I am looking forward to your reply. Thank you very much!
changshanyan from Tianjin University of China
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:57:00 CST