[gmx-users] Problem of running double precision with constraint forces by pull code

[wendung at umich.edu]

Hi all,

I have problem while running constraint forces by pull code. My system 
contains two diamond slabs with TAG molecules in between. I put 
constraint on two diamond slabs to slide two slabs against each other. 
My problem is that the code will stuck at around 64000 steps. Though it 
seems that the program is still running but there is no new output data 
have been written to the output files. The sliding speed is 0.016 
nm/ps. Please give me some suggestions. Thank you.

W.D. Hsu
Department of Mechanical Engineering, University of Michigan