Hi Edward.
pipe.create(pipe_name='test', bundle='test', pipe_type='relax_disp')
spin.create(spin_name='N', spin_num=1, res_name='V', res_num=2, mol_name=None)
spin.create(spin_name='N', spin_num=2, res_name='F', res_num=3, mol_name=None)
spin.create(spin_name='N', spin_num=3, res_name='G', res_num=4, mol_name=None)
spin.create(spin_name='N', spin_num=4, res_name='R', res_num=5, mol_name=None)
spin.create(spin_name='N', spin_num=5, res_name='C', res_num=6, mol_name=None)
relax_disp.cluster('model_cluster', ':2@N')
relax_disp.cluster('model_cluster', ':3@N')
value.set(val = 8.5, param='r2', spin_id=':2@N', error=True)
value.set(val = 500, param='kex', spin_id=':3@N', error=True)
state.save('test', force=True)
----------
If I load the saved state, and inspect the spins in the spin viewer, I see that the
parameters are set for:
r2_err = 8.5
kex_err = 500
Is this the expected behavior?
best
Troels