Project ID: plumID:21.024
Name: Property map collective variable as a useful tool for force field correction
Archive: https://archive.materialscloud.org/record/file?record_id=1039&filename=propertymapff.zip
Category: chemistry
Keywords: molecular mechanics
PLUMED version: 2.4
Contributor: Vojtech Spiwok
Submitted on: 02 Jun 2021
Last revised: 06 Oct 2021
Publication: unpublished

PLUMED input files

File Compatible with
aladip/FES_03to03_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_03to94_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_03to96_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_03to99SBILDN_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_03to99SB_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_03to99_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_03toGS_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_94to03_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_94to94_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_94to96_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_94to99SBILDN_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_94to99SB_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_94to99_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_94toGS_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_96to03_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_96to94_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_96to96_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_96to99SBILDN_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_96to99SB_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_96to99_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_96toGS_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_99SBILDNto03_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_99SBILDNto94_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_99SBILDNto96_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_99SBILDNto99SBILDN_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_99SBILDNto99SB_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_99SBILDNto99_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_99SBILDNtoGS_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_99SBto03_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_99SBto94_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_99SBto96_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_99SBto99SBILDN_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_99SBto99SB_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_99SBto99_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_99SBtoGS_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_99to03_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_99to94_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_99to96_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_99to99SBILDN_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_99to99SB_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_99to99_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_99toGS_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_GSto03_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_GSto94_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_GSto96_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_GSto99SBILDN_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_GSto99SB_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_GSto99_wat/plumed.dat tested on v2.8 tested on master
aladip/FES_GStoGS_wat/plumed.dat tested on v2.8 tested on master
aladip/dftbmm/mtd/plumed.dat tested on v2.8 tested on master
imatinib/correction/plumed.dat tested on v2.8 tested on master

Last tested: 30 Nov 2021, 15:17:13

Project description and instructions
All input files for MD and MTD simulations with property map force field corrections are supplied. Property map correction is introduced via plumed.dat files.

Submission history
[v1] 02 Jun 2021: original submission
[v2] 06 Oct 2021: update

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plumeDnest:21.024