NAMD on PARADOX, input preparation, job submission and monitoring, Belgrade, Serbia

Input files structure, and preparation of files

28 Nov 2011, 14:00

2h

524 (Faculty of Chemistry, University of Belgrade)

Speaker

Branko Drakulic (Department of Chemistry-IChTM, University of Belgrade)

Description

- Description of PDB file - Description of PSF file - Usage of topology files - Usage of parameter files - Working example 1UBQ (NAMD native tutorial) - Solving of common problems - Preparation of PDB and PSF files in Windows environment using VegaZZ - Preparation of PDB and PSF files using VMD, native psfgen and command line