GitHub - meyresearch/polymelts: Rounding off update 2023.

nvt/npt.gro files are v. big so I've left those out for now.

analysis.ipynb has graphs:)

Name		Name	Last commit message	Last commit date
Latest commit History 6 Commits
#npt.tpr.1#		#npt.tpr.1#
#npt_dens.xvg.1#		#npt_dens.xvg.1#
#npt_potential.xvg.1#		#npt_potential.xvg.1#
#npt_potential.xvg.2#		#npt_potential.xvg.2#
#npt_pres.xvg.1#		#npt_pres.xvg.1#
#npt_temp.xvg.1#		#npt_temp.xvg.1#
#npt_temp.xvg.2#		#npt_temp.xvg.2#
#npt_totE.xvg.1#		#npt_totE.xvg.1#
#npt_vol.xvg.1#		#npt_vol.xvg.1#
#nvt_dens.xvg.1#		#nvt_dens.xvg.1#
PMA.itp		PMA.itp
PMA.json		PMA.json
PMA_co_PMMA.itp		PMA_co_PMMA.itp
PMMA.itp		PMMA.itp
PMMA.json		PMMA.json
PMMA_co_PMA.json		PMMA_co_PMA.json
README.md		README.md
analysis.ipynb		analysis.ipynb
mdout.mdp		mdout.mdp
minim.mdp		minim.mdp
mysim.edr		mysim.edr
mysim.gro		mysim.gro
mysim.log		mysim.log
mysim.tpr		mysim.tpr
mysim.trr		mysim.trr
npt.edr		npt.edr
npt.mdp		npt.mdp
npt_dens.xvg		npt_dens.xvg
npt_potential.xvg		npt_potential.xvg
npt_pres.xvg		npt_pres.xvg
npt_prev.cpt		npt_prev.cpt
npt_temp.xvg		npt_temp.xvg
npt_totE.xvg		npt_totE.xvg
npt_vol.xvg		npt_vol.xvg
nvt.edr		nvt.edr
nvt.mdp		nvt.mdp
nvt_potential.xvg		nvt_potential.xvg
nvt_temp.xvg		nvt_temp.xvg
nvt_totE.xvg		nvt_totE.xvg
system.top		system.top

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