diff --git a/doc/src/commands.txt b/doc/src/commands.txt index c5f22c666f92686341fe9b4446e1abd3c792ee47..2fdb69ea4de09c23e62c3da78ab1367fb34618ca 100644 --- a/doc/src/commands.txt +++ b/doc/src/commands.txt @@ -91,6 +91,7 @@ Commands :h1 suffix tad temper + temper_grem thermo thermo_modify thermo_style diff --git a/doc/src/computes.txt b/doc/src/computes.txt index e7e54a6b3be9ef0bf39092ad8c2c2c6003d8500b..1d01798791ad4db5c21d3cc3c4c6953e849b4df1 100644 --- a/doc/src/computes.txt +++ b/doc/src/computes.txt @@ -35,6 +35,7 @@ Computes :h1 compute_erotate_sphere_atom compute_event_displace compute_fep + compute_global_atom compute_group_group compute_gyration compute_gyration_chunk diff --git a/doc/src/fix_grem.txt b/doc/src/fix_grem.txt index eac4d6f4bacd0ad5b1736d5b00f995bb94f6d017..3fc5c1a10e8a1299d11dbf6fbabe4ab1f1509a34 100644 --- a/doc/src/fix_grem.txt +++ b/doc/src/fix_grem.txt @@ -29,7 +29,7 @@ fix fxgREM all grem 502 -0.15 -80000 fxnvt :pre [Description:] This fix implements the molecular dynamics version of the generalized -replica exchange method (gREM) originally developed by "(Kim)"_#Kim, +replica exchange method (gREM) originally developed by "(Kim)"_#Kim2010, which uses non-Boltzmann ensembles to sample over first order phase transitions. The is done by defining replicas with an enthalpy dependent effective temperature @@ -103,7 +103,7 @@ npt"_fix_nh.html, "thermo_modify"_thermo_modify.html :line -:link(Kim) +:link(Kim2010) [(Kim)] Kim, Keyes, Straub, J Chem. Phys, 132, 224107 (2010). :link(Malolepsza)