[gmx-users] Position restraint code , where ?
Mark.Abraham at anu.edu.au
Mon Jul 11 06:38:49 CEST 2011
On 10/07/2011 9:01 PM, chicago.ecnu wrote:
> 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 ) ...
Why? That will not be very stable.
> 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 ?
Check out this thread for clues on how to search the code :
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