[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?
Cheers,
Weihua Li
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