[gmx-users] Pulling along dihedral angle as the reaction coordinate

I came across one such application name PLUMED plugin for gromacs, for dihedral restraints as the reaction coordinate. If you can suggest any other application for the same, kindly let me know. --Thanks Neeru > On 4/15/13 2:27 AM, neeru sharma wrote: > > Dear gromacs users, > > > > > > I want t

Re: [gmx-users] Pulling along dihedral angle as the reaction coordinate

On 4/15/13 2:27 AM, neeru sharma wrote: Dear gromacs users, I want to calculate PMF using pull code in gromacs, taking a psi angle as the reaction coordinate. I have a doubt where it is possible with the geometry options, currently available in gromacs? This is an application of either dih

[gmx-users] Pulling along dihedral angle as the reaction coordinate

Dear gromacs users, I want to calculate PMF using pull code in gromacs, taking a psi angle as the reaction coordinate. I have a doubt where it is possible with the geometry options, currently available in gromacs? Thanks and regards Neeru -- gmx-users mailing listgmx-users@gromacs.org http