NRGmin 1.2.2

Fixed gbsa

NRGmin 1.2.1

Fixed NOE compilation bug

NRGmin 1.2.0

New features:

• Added GBSA potential, switch it on with --gbsa-on flag
• Use --fixed-pdb fix.pdb to fix atoms whose coordinates overlap with atoms in fix.pdb
• Fix different atoms per model by supplying multiple models in fix.pdb
• Now you can supply a single model to --rec-pdb and multi-model to --lig-pdb

NRGmin 1.1.0

v1.1.0

Enable libmol2 commit cd877b9 (NOE updates: errors, peak overlap)

NRGmin 1.0.0

v1.0.0

Version 1.0.0