On 10/31/16 7:23 AM, David De Sancho wrote:
However, I found out that for using energy more tricky bits seem to be required, starting by an alignment between two sequences.
Just use the complete_pdb script, which assigns CHARMM atom types so that the energy can be calculated. See
https://salilab.org/modeller/9.17/manual/node455.html Ben Webb, Modeller Caretaker -- https://salilab.org/modeller/ Modeller mail list: https://salilab.org/mailman/listinfo/modeller_usage