[gmx-users] pull direction

Weihua Li whli at mail.shcnc.ac.cn
Fri Jan 3 15:00:39 CET 2003

Hi all,
  Now i am confused about another problem.I will pull the substrate along a certain channel.And i want to put the direction of the channel on z axis.But i don't know how to guarantee the direction of the channel to be the z axis. Below is my pull.ppa file.
  verbose = yes
  runtype = AFM
  group_1 = Drg ;the substrate
  reference_group = protein
  reftype = com
  reflag  = 1
  direction = 0 0 1.0
  reverse = from_reference
  pullrate = 0.00004 
  forceconstant = 500
 i used the EDITCONF -rotate command to adjust the box direction.The channel direction looks to be at z axis.But how can i know the channel direction to exactly be z-axis?
 Could anyone give me some advice?
Weihua Li

More information about the gromacs.org_gmx-users mailing list