lorenzo-rovigatti / tacoxDNA

A collection of tools for DNA modelling
http://tacoxdna.sissa.it/
GNU General Public License v3.0
17 stars 20 forks source link

Generalisation for unique base pairing (LAMMPS ntype > 4) #20

Closed ohenrich closed 3 years ago

ohenrich commented 3 years ago

Hi Lorenzo and @dom-the-physicist, This modification here does the trick. Your changes from this morning are included.

dom-the-physicist commented 3 years ago

Brilliant, I'll have the python 2 part ready by tomorrow morning as well.

ohenrich commented 3 years ago

Brilliant, I'll have the python 2 part ready by tomorrow morning as well.

Note there is now also a change further up in Lorenzo's part (line # 61).

dom-the-physicist commented 3 years ago

Brilliant, I'll have the python 2 part ready by tomorrow morning as well.

Note there is now also a change further up in Lorenzo's part (line # 61).

I have pushed it to dev-python2, it should work now. Please find attached an extract from the terminal. Screenshot_2020-11-25_18-14-36