[gmx-users] mk_angndx

Hi all, I am trying to make a PCA analysis of an protein md trajectory in dihedral space. Anyway I don't really understand how to use mk_angndx . When I run this command: mk_angndx -s ../foo.tpr -n dangle.ndx -type ryckaert-bellemans it seems that the resulting index file contains all the dihedr

Re: [gmx-users] mk_angndx

Fabio Affinito wrote: Hi everybody, what's the meaning of the labels in the angle.ndx generated by the mk_angndx? For example, I've got groups named [ Phi=0.0_3_3.77 ].. what does that mean? Thanks, Fabio ___ gmx-users mailing listgmx-users@gr

[gmx-users] mk_angndx

Hi everybody, what's the meaning of the labels in the angle.ndx generated by the mk_angndx? For example, I've got groups named [ Phi=0.0_3_3.77 ].. what does that mean? Thanks, Fabio ___ gmx-users mailing listgmx-users@gromacs.org http://www.gr