[gmx-users] afm does not work!

zzhwise1 at 163.com zzhwise1 at 163.com
Fri Jan 5 13:11:17 CET 2007


hi everyone
  I need to pull the two parallel monolayers together,the two monolayers are in the x-y plane , so i pull the one along the z direction,but it stay still! i tried several times ,but all failed! 
i use the 
[position_restraints ]                                          
   1   1  90000  90000   4000                         
     2   1  90000  90000   4000
the 1 and 2 are the atoms in the long molecules that form the monolayers ,if i decreased the fx,fy,fz,it show core fault and stopped!
 the ; Force constants in kJ/(mol*nm^2)
afm_k1                   = 100000
  who can tell me why!
 
thanks !
 
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