Yong-Q

Error: There are no atoms in your system. Suggestions:

3

Hello, I followed the tutorial, but made a mistake like this Command:**moltemplate.sh polymer.lt** Please help me if you have time. Thank you! **polymer.lt** :import "E.lt" write_once("Data Boundary") { 0.0 30...

about pickle

1

FileNotFoundError: [Errno 2] No such file or directory: '.conda/envs/pormake/lib/python3.9/site-packages/pormake/database/topologies/wfz.pickle' Unable to find the pickle file in the database, why is that? How to solve it?

gcc/11.3.0/include/c++/11.3.0/x86_64-pc-linux-gnu/bits/c++config.h:732:25: error: missing binary operator before token "(" #if _GLIBCXX_HAS_BUILTIN(__has_unique_object_representations)

MOFDecomposer

1

How to decompose the topo, bbs of MOF and output its name such as "tpo"

How is the ewald energy between two atoms obtained.