[gmx-users] Position restraint code , where ?

chicago.ecnu chicago.ecnu at gmail.com
Sun Jul 10 13:01:28 CEST 2011

Dear Gromacs Users,

    Harmonic potentials are used in Gromacs for imposing restraints on the motion of the system.
    V = 1/2 * k * (x-x0)^2
  And the forces are : F =  -k * (x-x0) . ...

   I want to use constant force for the restraint.  

  Just scale the force  : F = -k * (x-x0) / sqrt ( (x-x0)**2+(y-y0)**2 + (z-z0)**2 )  ...
  This was very simple.

  But I don't know where the position restraint code is . 

 Could you please tell me where I can start with ? 

 Many thanks for your help !

Best Wishes,

Yours Sincrely,
Chiango Ji


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