User contributions for Mgarciar

23 June 2017

• 13:0113:01, 23 June 2017 diff hist +27 VASP-MGCM (solvation module) No edit summary
• 11:4711:47, 23 June 2017 diff hist +3,059 N VASP-MGCM (solvation module) New page: The VASP-MGCM (Vasp-Multigrid Continuum Model) available in tekla2 has been compiled in the VASP 5.3.3 version (normal and gamma version). To perform a calculation of a solvated system PLE...
• 10:0910:09, 23 June 2017 diff hist 0 Núria López and Group No edit summary
• 10:0710:07, 23 June 2017 diff hist +1 VASP-MGCM No edit summary
• 10:0710:07, 23 June 2017 diff hist +5 VASP-MGCM No edit summary
• 09:3209:32, 23 June 2017 diff hist −1 VASP-MGCM No edit summary
• 09:3109:31, 23 June 2017 diff hist +116 VASP-MGCM No edit summary
• 09:2909:29, 23 June 2017 diff hist +9 VASP-MGCM No edit summary
• 09:2609:26, 23 June 2017 diff hist +6 VASP-MGCM No edit summary
• 09:2409:24, 23 June 2017 diff hist +20 VASP-MGCM No edit summary
• 09:2409:24, 23 June 2017 diff hist +69 VASP-MGCM No edit summary
• 09:1709:17, 23 June 2017 diff hist +137 N File:Vasp mgcm guide.pdf Quick guide that explains how to run a calculation using VASP-MGCM (modified version of VASP to perform calculations of solvated systems) current

30 May 2017

• 11:4811:48, 30 May 2017 diff hist +1 Molecular electrostatic potential No edit summary current
• 11:4711:47, 30 May 2017 diff hist +71 Molecular electrostatic potential No edit summary
• 11:4511:45, 30 May 2017 diff hist +14 Molecular electrostatic potential No edit summary
• 11:4511:45, 30 May 2017 diff hist +32 Molecular electrostatic potential No edit summary
• 11:4411:44, 30 May 2017 diff hist +62 Molecular electrostatic potential No edit summary
• 11:4111:41, 30 May 2017 diff hist +187 N Molecular electrostatic potential New page: The following pdf file describes (1) how to generate the electrostatic molecular potential (MEP) from a VASP calculation, (2) how to plot the MEP on a charge density isosurface using VMD.
• 11:3911:39, 30 May 2017 diff hist +4 Núria López and Group →Procedures
• 11:3811:38, 30 May 2017 diff hist +69 Núria López and Group →Procedures
• 11:3711:37, 30 May 2017 diff hist +168 N File:Mep vmd.pdf This document describes how to generate the molecular electrostatic potential (MEP) from a VASP calculation, and how to plot it on a charge density isosurface with VMD. current