Project ID: plumID:21.051
Name: Automatic learning of hydrogen-bond fixes in an AMBER RNA force field
Archive: https://github.com/bussilab/ghbfix-training/archive/main.zip (browse)
Category: methods
Keywords: force field, RNA
PLUMED version: 2.5
Contributor: Giovanni Bussi
Submitted on: 16 Dec 2021
Publication: T. Fröhlking, V. Mlýnský, M. Janeček, P. Kührová, M. Krepl, P. Banáš, J. Šponer, G. Bussi, Automatic Learning of Hydrogen-Bond Fixes in the AMBER RNA Force Field. Journal of Chemical Theory and Computation. 18, 4490–4502 (2022)

PLUMED input files

File Compatible with
…med-nest/ST-MetaD/GAGA_gHBfix_0.5-0.5/plumed.0.dat tested on v2.8 tested on master
…med-nest/ST-MetaD/GAGA_gHBfix_0.5-0.5/plumed.1.dat tested on v2.8 tested on master
…ed-nest/ST-MetaD/GAGA_gHBfix_0.5-0.5/plumed.10.dat tested on v2.8 tested on master
…ed-nest/ST-MetaD/GAGA_gHBfix_0.5-0.5/plumed.11.dat tested on v2.8 tested on master
…med-nest/ST-MetaD/GAGA_gHBfix_0.5-0.5/plumed.2.dat tested on v2.8 tested on master
…med-nest/ST-MetaD/GAGA_gHBfix_0.5-0.5/plumed.3.dat tested on v2.8 tested on master
…med-nest/ST-MetaD/GAGA_gHBfix_0.5-0.5/plumed.4.dat tested on v2.8 tested on master
…med-nest/ST-MetaD/GAGA_gHBfix_0.5-0.5/plumed.5.dat tested on v2.8 tested on master
…med-nest/ST-MetaD/GAGA_gHBfix_0.5-0.5/plumed.6.dat tested on v2.8 tested on master
…med-nest/ST-MetaD/GAGA_gHBfix_0.5-0.5/plumed.7.dat tested on v2.8 tested on master
…med-nest/ST-MetaD/GAGA_gHBfix_0.5-0.5/plumed.8.dat tested on v2.8 tested on master
…med-nest/ST-MetaD/GAGA_gHBfix_0.5-0.5/plumed.9.dat tested on v2.8 tested on master
plumed-nest/ST-MetaD/GAGA_gHBfix_1-0/plumed.0.dat tested on v2.8 tested on master
plumed-nest/ST-MetaD/GAGA_gHBfix_1-0/plumed.1.dat tested on v2.8 tested on master
plumed-nest/ST-MetaD/GAGA_gHBfix_1-0/plumed.10.dat tested on v2.8 tested on master
plumed-nest/ST-MetaD/GAGA_gHBfix_1-0/plumed.11.dat tested on v2.8 tested on master
plumed-nest/ST-MetaD/GAGA_gHBfix_1-0/plumed.2.dat tested on v2.8 tested on master
plumed-nest/ST-MetaD/GAGA_gHBfix_1-0/plumed.3.dat tested on v2.8 tested on master
plumed-nest/ST-MetaD/GAGA_gHBfix_1-0/plumed.4.dat tested on v2.8 tested on master
plumed-nest/ST-MetaD/GAGA_gHBfix_1-0/plumed.5.dat tested on v2.8 tested on master

Last tested: 19 Nov 2022, 10:49:47

Project description and instructions
Simulations were performed using PLUMED 2.5. Some of the simulations where performed using the LOAD keyword with a new CV that has been merged in PLUMED 2.8.

Submission history
[v1] 16 Dec 2021: original submission

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plumeDnest:21.051