Closed michalhammel closed 7 months ago
the const.inp file generated by PAE_jiffy do not acount multiple segments
Test on the command line using 1) pdb_2_crd.py 2) pae_ratios.py was successful:
TEst with Bilbomd -auto was also successful. thus, the scripts used in PAE_jiffy need to be updated accordingly.
This should be fixed.
dsclassen
commented
7 months ago dsclassen
commented
7 months ago
the const.inp file generated by PAE_jiffy do not acount multiple segments
Test on the command line using 1) pdb_2_crd.py 2) pae_ratios.py was successful:
TEst with Bilbomd -auto was also successful. thus, the scripts used in PAE_jiffy need to be updated accordingly.