I am seeing this error, need help on this!
warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) Traceback (most recent call last): File "traj_residue-z.py", line 48, in protein_z=protein.centroid()[2] IndexError: index 2 is out of bounds for axis 0 with size 0
Am 12/21/21 um 19:07 schrieb Viswanath Vittaladevaram <viswa....@gmail.com>:
#!/opt/local/bin/python
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On Dec 21, 2021, at 7:33 PM, Viswanath Vittaladevaram <viswa....@gmail.com> wrote:
I am trying to run this
python traj_residue-z.py -g fnIII-9_ps20_Nchain6_T298_nw.gro -x fnIII-9_ps20_Nchain6_T298_nw.xtc -o1 fnIII-9_ps20_Nchain6_run1.protein_z -o2 fnIII-9_ps20_Nchain6_run1.res_z --nres 89
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