Re: [gmx-users] Position restraint code , where ?

2011-07-10 Thread Mark Abraham
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 scal

[gmx-users] Position restraint code , where ?

2011-07-10 Thread chicago.ecnu
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)

[gmx-users] Position restraint code , where ?

2011-07-10 Thread chicago.ecnu
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)