Project ID: plumID:19.016
Name: Succinnic acid gamma polymorph
Archive: https://github.com/mme-ucl/plumed-nest-data/raw/master/succinnic_acid_input_files.zip
Category: materials
Keywords: Succinnic acid, conformers, polymorphs, metadynamics
PLUMED version: 2.3
Contributor: Matteo Salvalaglio
Submitted on: 23 Apr 2019
Publication: P. Lucaioli et al., Serendipitous isolation of a disappearing conformational polymorph of succinic acid challenges computational polymorph prediction, CrystEngComm 20, 3971–3977 (2018)

PLUMED input files

File Compatible with
1.singleSUC_water/plumed.dat tested on v2.5 tested on master
2.conformers_solidbulk/plumed.dat tested on v2.5 tested on master
3.gamma_distortion/plumed.dat tested on v2.5 tested on master

Last tested: 18 Aug 2019, 14:17:40

Project description and instructions
Input files for metadynamics simulations performed with GROMACS 5.2 patched with PLUMED 2.3.

Submission history
[v1] 23 Apr 2019: original submission

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plumeDnest:19.016