Mercurial > repos > agpetit > calculate_diameter

diff test-data/PIP2.1_test_traj_2.tabular @ 2:c574ada16e76 draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
"planemo upload for repository https://github.com/mesocentre-clermont-auvergne/aubi_piaf commit 48a10de1b21f94ab8019d9d0e4a43e0bd9d0c31e-dirty"
author agpetit
date Wed, 25 May 2022 09:42:17 +0000
parents
children
line wrap: on
line diff
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/PIP2.1_test_traj_2.tabular	Wed May 25 09:42:17 2022 +0000
@@ -0,0 +1,6 @@
+Time (ps)	AQP1,P1,HLAT-RSFG (Angstroms)	AQP1,P2,HLAT-RSFG (Angstroms)	AQP1,P3,HLAT-RSFG (Angstroms)	AQP1,P4,HLAT-RSFG (Angstroms)	AQP2,P1,HLAT-RSFG (Angstroms)	AQP2,P2,HLAT-RSFG (Angstroms)	AQP2,P3,HLAT-RSFG (Angstroms)	AQP2,P4,HLAT-RSFG (Angstroms)
+Mean	13.616	12.988	13.014	13.523	13.115	13.316	13.357	13.381
+Std	0.146	0.275	0.056	0.354	0.102	0.224	0.183	0.379
+30.0	13.409908294677734	12.636972427368164	12.935920715332031	13.895562171936035	13.257441520690918	13.514164924621582	13.33935832977295	12.872748374938965
+40.0	13.700663566589355	13.30886459350586	13.064764022827148	13.626277923583984	13.06230640411377	13.431143760681152	13.589634895324707	13.487104415893555
+50.0	13.736593246459961	13.01927375793457	13.04196834564209	13.046476364135742	13.024452209472656	13.003536224365234	13.142778396606445	13.782355308532715