[gmx-users] Problem in constraint force pulling

wendung at umich.edu wendung at umich.edu
Wed Feb 13 23:14:41 CET 2008

Hi all,

My system contains two parallel CNTs (along X-axis) and several lipid 
molecules. The CNT connect to its image by periodic boundary condition. 
Thus ideally the CNT are infinite long. Now I want to drag two CNTs, 
one toward +X direction and the other one toward -X direction, by using 
constraint forces in pull code. The problem is that the job crach after 
the pulling distance excess the pbc in X direction. Is this the 
limitation of the constraint force method? or there are some ways to 
solve it?

Please help me with this.

Thank you.

W.D. Hsu
University of Michigan

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