User contributions for Tbouchal

15 June 2015

• 09:5309:53, 15 June 2015 diff hist +23‎ Ring Puckering ‎No edit summary

11 June 2015

• 14:1414:14, 11 June 2015 diff hist 0‎ CV:EGAP ‎No edit summary current
• 14:1414:14, 11 June 2015 diff hist 0‎ CV:POT ‎No edit summary current
• 14:1414:14, 11 June 2015 diff hist +2‎ CV:POT ‎No edit summary

9 June 2015

• 15:1015:10, 9 June 2015 diff hist +282‎ CV:CNGSW ‎No edit summary current
• 15:0815:08, 9 June 2015 diff hist +1,082‎ N CV:PLANE ‎ Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:PLANE ---- {{CVS}} ===Definition=== The root-mean square distance of atoms to the plane tha..." current
• 15:0815:08, 9 June 2015 diff hist +1,070‎ N CV:RMSDT ‎ Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:RMSDT ---- {{CVS}} ===Definition=== The root mean square deviation of the structure fitted..." current
• 15:0715:07, 9 June 2015 diff hist +1,305‎ N CV:PMOGT ‎ Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:PMOGT ---- {{CVS}} ===Definition=== The selected principal moment of the mass weighted gyra..." current
• 15:0715:07, 9 June 2015 diff hist +1,402‎ N CV:PMGTD ‎ Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:PMGTD ---- {{CVS}} ===Definition=== The difference between two principal moments of the mas..." current
• 15:0615:06, 9 June 2015 diff hist +1,154‎ N CV:EVEC ‎ Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:EVEC ---- {{CVS}} ===Definition=== The projection of atom configuration onto the essential..." current
• 15:0515:05, 9 June 2015 diff hist +746‎ N CV:RGYR ‎ Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:RGYR ---- {{CVS}} ===Definition=== The radius of gyration of atoms in the group '''A'''. <c..." current
• 15:0515:05, 9 June 2015 diff hist +1,551‎ N CV:SANIS ‎ Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:SANIS ---- {{CVS}} ===Definition=== The relative shape anisotropy of atoms in the group '''..." current
• 15:0415:04, 9 June 2015 diff hist +1,307‎ N CV:ASPH ‎ Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:ASPH ---- {{CVS}} ===Definition=== The asphericity of atom distribution in the group '''A''..." current
• 15:0315:03, 9 June 2015 diff hist +1,281‎ N CV:ACYL ‎ Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:ACYL ---- {{CVS}} ===Definition=== The acylindricity of atom distribution in the group '''A..." current
• 15:0215:02, 9 June 2015 diff hist +1,979‎ N CV:PUCK5Q ‎ Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:PUCK5Q ---- {{CVS}} ===Definition=== Total puckering amplitude is defined as: <center><math..."
• 15:0115:01, 9 June 2015 diff hist +2,306‎ N CV:PUCK5P ‎ Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:PUCK5P ---- {{CVS}} ===Definition=== Puckering azimuthal angle of five-membered ring is def..."
• 15:0015:00, 9 June 2015 diff hist +2,104‎ N CV:PUCK6Q ‎ Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:PUCK6Q ---- {{CVS}} ===Definition=== The total puckering amplitude is defined as: <center><..."
• 14:5914:59, 9 June 2015 diff hist +2,425‎ N CV:PUCK6P ‎ Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:PUCK6P ---- {{CVS}} ===Definition=== Puckering azimuthal angle of six-membered ring is defi..."
• 14:5814:58, 9 June 2015 diff hist +2,339‎ N CV:PUCK6T ‎ Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:PUCK6T ---- {{CVS}} ===Definition=== Puckering polar angle of six-membered ring is defined..."
• 14:5514:55, 9 June 2015 diff hist +69‎ N CV:EGAP ‎ Created page with "Navigation: Documentation / Collective variables ---- {{CVS}}"
• 14:5414:54, 9 June 2015 diff hist +556‎ N CV:POT ‎ Created page with "__NOEDITSECTION__ Navigation: Documentation / User documentation / CV:POT ---- {{CVS}} ===Definition=== The potential energy of the system. This energy does not in..."
• 14:5314:53, 9 June 2015 diff hist +678‎ N CV:ADD ‎ Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:ADD ---- {{CVS}} ===Definition=== The sum of two collective variables. <center><math>\xi =..." current
• 14:5214:52, 9 June 2015 diff hist 0‎ CV:MULT ‎No edit summary current
• 14:5214:52, 9 June 2015 diff hist 0‎ CV:SUB ‎No edit summary current
• 14:5214:52, 9 June 2015 diff hist +690‎ N CV:SUB ‎ Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective variables / CV:SUB ---- {{CVS}} ===Definition=== The differnece between two collective variables. <center..."
• 14:5114:51, 9 June 2015 diff hist +684‎ N CV:MULT ‎ Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective variables / CV:MULT ---- {{CVS}} ===Definition=== The product of two collective variables. <center><math>..."
• 14:5014:50, 9 June 2015 diff hist +718‎ N CV:DIV ‎ Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:DIV ---- {{CVS}} ===Definition=== The ratio between two collective variables. <center><mat..." current
• 14:4714:47, 9 June 2015 diff hist +1,562‎ N CV:CNGRF ‎ Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:CNGRF ---- {{CVS}} ===Definition=== The coordination numbers of the point '''A''' with resp..." current
• 14:4514:45, 9 June 2015 diff hist +1,284‎ N CV:CNRF ‎ Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:CNRF ---- {{CVS}} ===Definition=== The sum of coordination numbers of atoms from the group..." current
• 14:4414:44, 9 June 2015 diff hist +1,089‎ N CV:CNGSW ‎ Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:CNSW ---- {{CVS}} ===Definition=== The sum of coordination numbers of atoms from the group..."
• 14:4214:42, 9 June 2015 diff hist +1,089‎ N CV:CNSW ‎ Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:CNSW ---- {{CVS}} ===Definition=== The sum of coordination numbers of atoms from the group..." current
• 14:4114:41, 9 June 2015 diff hist +1,360‎ N CV:CNGFF ‎ Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:CNGFF ---- {{CVS}} ===Definition=== The coordination number of central point '''A''' with r..." current
• 14:4014:40, 9 June 2015 diff hist +1,079‎ N CV:CNFF ‎ Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:CNFF ---- {{CVS}} ===Definition=== The sum of coordination numbers of atoms from the group..." current
• 14:3114:31, 9 June 2015 diff hist +2,016‎ N CV:PVANG ‎ Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:PVANG ---- {{CVS}} ===Definition=== The angle between the normal vector of the plane '''A''..." current
• 14:2914:29, 9 June 2015 diff hist +2,459‎ N CV:PANG ‎ Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:PANG ---- {{CVS}} ===Definition=== The angle between two normal plane vectors. <center><ma..." current
• 14:2814:28, 9 June 2015 diff hist +1,654‎ N CV:DIH ‎ Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:DIH ---- {{CVS}} ===Definition=== The dihedral angle among four points. Each point is calcu..." current
• 14:2314:23, 9 June 2015 diff hist +1,936‎ N CV:AXANG ‎ Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:AXANG ---- {{CVS}} ===Definition=== The angle between two axes of two principal moments of..."
• 14:2214:22, 9 June 2015 diff hist +1,312‎ N CV:ANG ‎ Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:ANG ---- {{CVS}} ===Definition=== The angle among three points. Each point is calculated as..." current
• 13:4313:43, 9 June 2015 diff hist +778‎ N CV:RAD ‎ Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:RAD ---- {{CVS}} ===Definition=== The radial distance of the point from z-axis. <center><ma..." current
• 13:4213:42, 9 June 2015 diff hist +759‎ N CV:POS ‎ Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:POS ---- {{CVS}} ===Definition=== The absolute position of the point along z-axis. <center>..." current
• 13:4213:42, 9 June 2015 diff hist +1,345‎ N CV:ORAD ‎ Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:ORAD ---- {{CVS}} ===Definition=== The radial distance of the point from z-axis of re-orien..." current
• 13:4113:41, 9 June 2015 diff hist +1,321‎ N CV:OPOS ‎ Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:OPOS ---- {{CVS}} ===Definition=== The absolute position of the point along z-axis of re-or..." current
• 13:4013:40, 9 June 2015 diff hist 0‎ CV:ODIS ‎No edit summary
• 13:4013:40, 9 June 2015 diff hist +1,819‎ N CV:ODIS ‎ Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective variables / CV:ODIS ---- {{CVS}} ===Definition=== The oriented distance between the plane '''A''' and the..."
• 13:4013:40, 9 June 2015 diff hist 0‎ CV:MDISG ‎No edit summary current
• 13:3913:39, 9 June 2015 diff hist +1,560‎ N CV:MDISG ‎ Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective variables / CV:MDISG ---- {{CVS}} ===Definition=== The minimum distance between two atom groups. To ensure..."
• 13:3813:38, 9 June 2015 diff hist 0‎ CV:MDIS ‎No edit summary current
• 13:3813:38, 9 June 2015 diff hist +1,572‎ N CV:MDIS ‎ Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective variables / CV:MDIS ---- {{CVS}} ===Definition=== The minimum value of atom pair distances. To ensure that..."
• 13:2913:29, 9 June 2015 diff hist +1,075‎ N CV:DIS ‎ Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:DIS ---- {{CVS}} ===Definition=== The distance between the center of mass of the two groups..." current
• 13:2413:24, 9 June 2015 diff hist +1,412‎ N CV:DD ‎ Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:DD ---- {{CVS}} ===Definition=== The difference between two distances. Each distance is cal..." current