In order to obtain binding energies between two proteins I have run a dynamics of the complex and I would like to extract the component proteins in order to obtain the energy differences.
The script that I generated produces an error for a missing unit number.
I include the input and the ouput file.
Thanks in advance,

Attached Files
error1.zip (16.16 KB, 271 downloads)
SHA1: 5fdca146c3156ad73a58bdbf762d3503a879e174