TroubleshootingΒΆ

symptom

cause

fix

A command and a trajectory file are required / exit 2

Missing positional

seams read FILE

unknown command / exit 2

Not read / chill / chill-plus / cages

chill_plus is an alias of chill-plus

nop 0

Wrong type or empty file

--type 2 on TIP4P, --type 1 on mW

chemfiles: disabled and .pdb fails

Flake / no chemfiles

Default pixi lock, or a Meson build that finds chemfiles

.con fails

readcon-core off

Enable in a Meson build that can see it; the flake does not fetch the wrap

--jobs does nothing useful

OpenMP off

seams --features

ModuleNotFoundError: pydseams

Wrong repository

PydSEAMSlib, not pixi run in seams-core

Looking for yodaStruct -c lua_inputs/config.yml

2020 executable

seams here; Lua library in yodaStruct

When you file an issue, include seams --version, seams --features, the command line, and a minimal dump.