--- /dev/null
+This directory contains examples of calculactions with UNRES, run on small
+systems. The following directories contain calculations of different
+categories:
+
+MD - molecular-dynamics-related calculations
+
+ microcanonical - microcanonical calculations
+
+ VTS - calculations with variable time step
+ ff_1l2y - 1E0L1L2Y force field
+ ff_gab - 1GAB force field
+
+ RESPA - calculations with the AMTS algorithm
+ ff_1l2y - 1E0L1L2Y force field
+ ff_gab - 1GAB force field
+
+ Berendsen - calculations with Berendsen's thermostat
+ ff_1l2y - 1E0L1L2Y force field
+ ff_gab - 1GAB force field
+
+ Nose_Hoover - calculations with Nose-Hoover thermostat
+ ff_1l2y - 1E0L1L2Y force field
+ ff_gab - 1GAB force field
+
+ Langevin - Langevin dynamics calculations
+ ff_1l2y - 1E0L1L2Y force field
+ ff_gab - 1GAB force field
+
+REMD - calculations with replica exchange molecular dynamics
+
+ Berendsen - calculations with Berendsen's thermostat
+ ff_1l2y - 1E0L1L2Y force field
+ ff_gab - 1GAB force field
+
+ Nose_Hoover - calculations with Nose-Hoover thermostat
+ ff_1l2y - 1E0L1L2Y force field
+ ff_gab - 1GAB force field
+
+ Langevin - Langevin dynamics calculations
+ ff_1l2y - 1E0L1L2Y force field
+ ff_gab - 1GAB force field
+
+ with_constraints - calculations with distance restraints
+
+ Berendsen - Berendsen calculations (the only examples for restrained
+ REMD)
+
+ ff_1l2y - 1E0L1L2Y force field
+ ff_gab - 1GAB force field
+
+MREMD - multiplexed replica-exchange calculations
+
+ ff_1l2y - 1E0L1L2Y force field
+ ff_gab - 1GAB force field
+
+
+CSA - conformational space annealing calculations
+
+ 4P - 4P force field
+ 1E0LL2Y - 1E0LL2Y force field
+ GAB - 1GAB force field
+
+MINIM - energy minimization calculations
+
+MULTICHAIN - sample runs on oligomeric proteins
+
+Each bottom directory contains the respective batch and C-shell scripts,
+input file, and the output directory that contains the results of sample
+calculations, which can be checked against the results of user's
+calculations
+