Issues

• Gromacs file converted to LAMMPS file is missing the data file

  shirtsgroup/InterMol#407 · Filter by author yesok0815 opened on Jan 30, 2026

• The bug in LAMMPS converting key parameters and angle parameters to GROMACS files

  shirtsgroup/InterMol#402 · Filter by author hu-fu1 opened on Apr 3, 2025
  1

• Gromacs topology parser

  shirtsgroup/InterMol#401 · Filter by author subhamoymahajan opened on Oct 8, 2024

• trjconv-error in input

  shirtsgroup/InterMol#400 · Filter by author prisi20183 opened on Sep 16, 2024

• LAMMPS TO GROMACS CONVERSION

  shirtsgroup/InterMol#399 · Filter by author prisi20183 opened on Aug 15, 2024

• Conversion of 'cosine/periodic' bond angles in lammps input files is not supported

  shirtsgroup/InterMol#398 · Filter by author Darker1095 opened on Dec 6, 2023

• IndexError: list index out of range

  shirtsgroup/InterMol#397 · Filter by author ghost opened on Oct 17, 2023
  3

• convert lammps to gromacs (error about dihedral)

  shirtsgroup/InterMol#395 · Filter by author Springwonder opened on Jun 5, 2023
  7

• Converting Gromacs to LAMMPS: Unbound local error 'x_min' referenced before assignment

  shirtsgroup/InterMol#394 · Filter by author Bellsthescientist opened on Apr 28, 2023

• Gromacs to AMBER ligand conversion

  shirtsgroup/InterMol#393 · Filter by author mmagithub opened on Mar 22, 2023
  6

• LAMMPS to Gromacs conversion errors

  shirtsgroup/InterMol#392 · Filter by author MM2023-1401 opened on Feb 28, 2023
  4

• SyntaxError: invalid syntax

  shirtsgroup/InterMol#388 · Filter by author debanjansen48 opened on Sep 25, 2022
  1

• issue with import intermol.gromacs .... SyntaxError

  shirtsgroup/InterMol#385 · Filter by author kishantchem opened on May 21, 2022
  1

• Issue when converting from Desmond input to LAMMPS output

  shirtsgroup/InterMol#383 · Filter by author dadrion opened on Mar 2, 2022
  3

• Dihedral error converting from Desmond to Gromacs

  shirtsgroup/InterMol#382 · Filter by author gitkol opened on Jan 28, 2022

• Problem to start Intermol

  shirtsgroup/InterMol#381 · Filter by author kleflick opened on Jan 12, 2022
  1

• Error Converting Gromacs to Lammps

  shirtsgroup/InterMol#376 · Filter by author greigcs opened on Feb 22, 2021

• Error in converting cms file of a ligand with pseudoatom

  shirtsgroup/InterMol#374 · Filter by author amrhamedp opened on Dec 30, 2020
  3

• Error in converting cms to Gromacs topology

  shirtsgroup/InterMol#372 · Filter by author Moh-Pou opened on Nov 19, 2020
  1

• Units from GROMACS to LAMMPS

  shirtsgroup/InterMol#368 · Filter by author moradza opened on Oct 6, 2020
  1

• Conversion DESMOND--> AMBER

  shirtsgroup/InterMol#365 · Filter by author icamps opened on Aug 18, 2020
  5

• Converting from Amber to LAMMPS with flexible water

  shirtsgroup/InterMol#364 · Filter by author nickhine opened on Aug 13, 2020
  6

• Not sure how to convert a Gromacs trajectory file to Desmond trajectory file.

  shirtsgroup/InterMol#363 · Filter by author mdbiology opened on May 22, 2020
  2

• Desmond to Prmtop

  shirtsgroup/InterMol#359 · Filter by author amrhamedp opened on Oct 3, 2019
  3

• InterMol does not recognize coeff keywords in the lammps input files

  shirtsgroup/InterMol#355 · Filter by author JoshuaSBrown opened on Feb 5, 2019
  2