Thanks Sam.
I did ignore the error message and run the model free analysis and I got the following errors: Traceback (most recent call last): File "/usr/local/relax/gui/analyses/execute.py", line 87, in run self.run_analysis() File "/usr/local/relax/gui/analyses/auto_model_free.py", line 808, in run_analysis dauvergne_protocol.dAuvergne_protocol(pipe_name=self.data.pipe_name, pipe_bundle=self.data.pipe_bundle, results_dir=self.data.save_dir, diff_model=self.data.global_models, mf_models=self.data.mf_models, local_tm_models=self.data.local_tm_models, grid_inc=self.data.inc, diff_tensor_grid_inc=self.data.diff_tensor_grid_inc, mc_sim_num=self.data.mc_sim_num, max_iter=self.data.max_iter, conv_loop=self.data.conv_loop) File "/usr/local/relax/auto_analyses/dauvergne_protocol.py", line 241, in __init__ self.execute() File "/usr/local/relax/auto_analyses/dauvergne_protocol.py", line 604, in execute self.interpreter.results.read(file='results', dir=self.results_dir+'local_tm'+sep+'aic') File "/usr/local/relax/prompt/uf_objects.py", line 221, in __call__ self._backend(*new_args, **uf_kargs) File "/usr/local/relax/generic_fns/results.py", line 96, in read ds.from_xml(file, dir=dirname(file_path), pipe_to=pipes.cdp_name()) File "/usr/local/relax/data/__init__.py", line 452, in from_xml self[pipe_to].from_xml(pipe_nodes[0], dir=dir, file_version=file_version) File "/usr/local/relax/data/pipe_container.py", line 255, in from_xml self.structure.from_xml(str_nodes[0], dir=dir, id=parser, file_version=file_version) File "/usr/local/relax/generic_fns/structure/api_base.py", line 296, in from_xml self.structural_data.from_xml(model_nodes, id=id, file_version=file_version) File "/usr/local/relax/generic_fns/structure/api_base.py", line 1223, in from_xml self[-1].mol.from_xml(mol_nodes, id=id, file_version=file_version) File "/usr/local/relax/generic_fns/structure/api_base.py", line 1441, in from_xml self[-1].from_xml(mol_node, file_version=file_version) File "/usr/local/relax/generic_fns/structure/internal.py", line 2607, in from_xml xml_to_object(mol_node, self, file_version=file_version) File "/usr/local/relax/data/relax_xml.py", line 277, in xml_to_object value[i] = packBytesAsPyFloat(ieee_value[i]) File "/usr/local/relax/float.py", line 200, in packBytesAsPyFloat doubleString=pack('8B',*bytes) error: pack expected 8 items for packing (got 571) Can anyone suggest what is the problem ? Thanks a lot. Ashish ________________________________ From: Mahdi, Sam <sam.mahdi....@my.csun.edu> Sent: Tuesday, February 21, 2017 4:17:08 PM To: Ashish Sethi Subject: Re: Error in setting up model free analysis Hi Ashish, I am not part of Edwards team, just a normal relax user. The error is simply informing you there is no information for hydrogen spins (which there shouldn't be), so its fine. It will exclude the hydrogen spin dynamics in its computations, so there is nothing to worry about in regards to the error (from my experience). Sincerely, Sam On Mon, Feb 20, 2017 at 8:40 PM, Ashish Sethi <ashish.se...@unimelb.edu.au<mailto:ashish.se...@unimelb.edu.au>> wrote: Dear Edward, Hope this email finds you well !!! I am a beginner in the field of protein dynamics and I wish to do a model free analysis for my protein which is about 72 residues (8.5 kDa). I have calculated the standard R1, R2 and NOE (steady state) parameters and also did the reduced spectral density mapping. My question is related to dipolar relaxation settings while setting up the model free analysis, so all my files (R1, R2 and NOE) only have 15N spin information and if I follow the instructions given in the manual and select "@N" and "@H"-- i get an error saying no information available for H spin which is obvious. In this case what am I supposed to select ? Apologies for my naivety. Thanks Ashish _______________________________________________ relax (http://www.nmr-relax.com<http://www.nmr-relax.com>) This is the relax-users mailing list relax-users@gna.org<mailto:relax-users@gna.org> To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-users<https://mail.gna.org/listinfo/relax-users> _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-users mailing list relax-users@gna.org To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-users