Dear GENESIS users,
We have released GENESIS 1.5.1 on Sep. 3, 2020.
This version has the following updates and fixes.
- (ATDYN) Fix L-BFGS minimization
- (SPDYN) Fix free-energy perturbation
- (SPDYN) Enable local restraints in free-energy perturbation
- (Analysis) Fix mbar_analysis
- (Analysis) Stop energy_analysis if there is non-desired mixtures of solvent and solute in angle/dihed/improp/cmap
- (general) extend maximum characters per line in control file (for recent CHARMM-GUI)
This new version is available at our website.
Best regards,
GENESIS development team
