Evangelos Karatzas
02/23/2026, 9:07 AMNXF_VER=25.10.4 nextflow run proteinfold -profile singularity,gpu --input /path/to/proteinfold/assets/samplesheet.csv --outdir output --use_gpu true --mode colabfold --colabfold_model_preset alphafold2_multimer_v3 --colabfold_use_amber false
colabfold_use_amber false was required else there was an error:
ValueError: Minimization failed after 100 attempts.
Similarly the memory was not enough so had to change the memory for this:
withName: 'MMSEQS_COLABFOLDSEARCH' {
memory = { 400.GB * task.attempt }