Dear GENESIS users,
We have released GENESIS 1.3.0 on Jun 18, 2018.
New features:
(spdyn/atdyn) Enable generalized replica exchange with solute tempering (gREST)
For details on gREST, see Chap 14 REMD of the manual, web tutorial and FAQ.
Fixes:
(spdyn) Improvement of nonbonded energy in GPU usage
(spdyn/atdyn) Enable options, pressure_virial/pressure_rmsd,including virial terms from position/rmsd restraints in pressure evaluations
(spdyn) Fix setup of AMBER FF when constraint is not set.
(atdyn) Fix PC restraints for computational performance.
This new version is available at our website.
Best regards,
GENESIS development team
