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hernanchavezthielemann / GRO2LAM

Gromacs to Lammps simulation converter
MIT License
65 stars 19 forks source link

Include file not found #24

Closed hernanchavezthielemann closed 4 years ago

hernanchavezthielemann commented 4 years ago

Describe the bug Include file not found breaks the program.

To Reproduce Steps to reproduce the behavior:

  1. Take out, from a working example, some file like "bonded.itp"
  2. Try to perform the conversion
  3. See error

Expected behavior

----- Loading :
/home/.../forcefield.itp
/home/...ffnonbonded.itp
/home/.../ffbonded.itp
Using :/home/.../forcefield.itp for defaults
Using :/home/..../ffnonbonded.itp for atomtypes
xx/0 Read error 030, file not found.
/home/.../ffbonded.itp
hernanchavezthielemann commented 4 years ago

add error popup in line and error flag