2012/9/30 massimo sandal <deviceran...@gmail.com>: > Hi, > > I am trying to run the SPCE/TF tutorial, and apparently gromacs-4.6 does not > recognize AdResS-specific options in the MDP. I have recompiled and > reinstalled both Gromacs 4.6 from the git repo and VOTCA to their latest > versions, to no avail. At step_001 , grompp dies with the following > warnings: > > WARNING 1 [file grompp.mdp, line 116]: > Unknown left-hand 'adress_type' in parameter file > > WARNING 2 [file grompp.mdp, line 116]: > Unknown left-hand 'adress_ex_width' in parameter file > > WARNING 3 [file grompp.mdp, line 116]: > Unknown left-hand 'adress_hy_width' in parameter file > > WARNING 4 [file grompp.mdp, line 116]: > Unknown left-hand 'adress_interface_correction' in parameter file > > WARNING 5 [file grompp.mdp, line 116]: > Unknown left-hand 'adress_reference_coords' in parameter file > > WARNING 6 [file grompp.mdp, line 116]: > Unknown left-hand 'adress_cg_grp_names' in parameter file > > Any hint on what am I doing wrong? There was a slight change when we merged AdResS into gromacs 4.6. One needs to add the line adress = yes in the mdp file. That should have been added in the version >=1.2.3 of csg-tutorials.
Which version of csg-tutorials are you using? Christoph > > thanks, > Massimo > > -- > You received this message because you are subscribed to the Google Groups > "votca" group. > To view this discussion on the web visit > https://groups.google.com/d/msg/votca/-/2yVQwyKgtVEJ. > To post to this group, send email to votca@googlegroups.com. > To unsubscribe from this group, send email to > votca+unsubscr...@googlegroups.com. > For more options, visit this group at > http://groups.google.com/group/votca?hl=en. -- Christoph Junghans Web: http://www.compphys.de -- You received this message because you are subscribed to the Google Groups "votca" group. To post to this group, send email to votca@googlegroups.com. To unsubscribe from this group, send email to votca+unsubscr...@googlegroups.com. For more options, visit this group at http://groups.google.com/group/votca?hl=en.
