PLUMED-NEST by plumed-nest

Project ID: plumID:22.021
Name: Phase diagram of the TIP4P/Ice water model by enhanced sampling simulations
Archive: https://github.com/sigbjobo/TIP4P-Ice-Phase-Diagram/archive/refs/heads/plumed-nest.zip
Category: chemistry
Keywords: Ice, water, nucleation, environment similarity, interfaces, phase diagram, multiumbrella
PLUMED version: 2.8
Contributor: Sigbjørn Løland Bore
Submitted on: 26 Apr 2022
Publication: S. L. Bore, P. M. Piaggi, R. Car, F. Paesani, Phase diagram of the TIP4P/Ice water model by enhanced sampling simulations. The Journal of Chemical Physics. 157 (2022)

PLUMED input files

File	Compatible with
…Coexistence/COEX_1000.0atm/250.0K/plumed.equil.dat
…oexistence/COEX_1000.0atm/250.0K/plumed.smooth.dat
…Coexistence/COEX_1000.0atm/250.0K/plumed.start.dat
…oexistence/COEX_1000.0atm/250.0K/plumed.strict.dat
…Coexistence/COEX_2000.0atm/270.0K/plumed.equil.dat
…oexistence/COEX_2000.0atm/270.0K/plumed.smooth.dat
…Coexistence/COEX_2000.0atm/270.0K/plumed.start.dat
…oexistence/COEX_2000.0atm/270.0K/plumed.strict.dat
…sedCoexistence/COEX_0.0atm/265.0K/plumed.equil.dat
…edCoexistence/COEX_0.0atm/265.0K/plumed.smooth.dat
…sedCoexistence/COEX_0.0atm/265.0K/plumed.start.dat
…edCoexistence/COEX_0.0atm/265.0K/plumed.strict.dat
…Coexistence/COEX_4000.0atm/235.0K/plumed.equil.dat
…oexistence/COEX_4000.0atm/235.0K/plumed.smooth.dat
…Coexistence/COEX_4000.0atm/235.0K/plumed.start.dat
…oexistence/COEX_4000.0atm/235.0K/plumed.strict.dat
…oexistence/COEX_10000.0atm/290.0K/plumed.equil.dat
…existence/COEX_10000.0atm/290.0K/plumed.smooth.dat
…oexistence/COEX_10000.0atm/290.0K/plumed.start.dat
…existence/COEX_10000.0atm/290.0K/plumed.strict.dat

Last tested: 17 Apr 2024, 07:19:56

Project description and instructions
Input files for LAMMPS (29 Sep 2021) and PLUMED 2.8.

Submission history
[v1] 26 Apr 2022: original submission

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