Re: [gmx-users] g_hydorder error

On 8/26/13 8:27 AM, Nidhi Katyal wrote: Dear all, I am using following command in gromacs version 4.5.5: g_hydorder -f *.xtc -s *.tpr -n *.ndx -o file1.xpm file2.xpm But getting following error: Internal error in pbc_dx, set_pbc has not been called In my mdp file, I have set pbc to xyz I hav

[gmx-users] g_hydorder error

Dear all, I am using following command in gromacs version 4.5.5: g_hydorder -f *.xtc -s *.tpr -n *.ndx -o file1.xpm file2.xpm But getting following error: Internal error in pbc_dx, set_pbc has not been called In my mdp file, I have set pbc to xyz I have searched the archive and found that simila