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DTSTAMP:20260706T214437Z
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DTSTART:20200903T070000Z
DTEND:20200904T140000Z
DESCRIPTION:GROMACS (www.gromacs.org) is a free\, open-source and high-per
 formance software suite for molecular dynamics simulation and analysis.
 The workshop will provide an introduction to use of  GROMACS. The cou
 rse will be delivered by KTH staff.\n\nThe workshop aims to provide the
  basis to perform molecular dynamics simulations and simple free energy c
 alculations using GROMACS.\n\nThe workshop will include online lectures 
 and hands-on sessions on the following topics:\n\n\n	The basics of mole
 cular dynamics simulations\n	Introduction to free energy calculations\n	Th
 e capabilities of GROMACS \n\n\nDuring the hands-on computer practicals 
 you will work on protein simulation and solvation free energy using GROMA
 CS.\n\nThe workshop is organized jointly by PRACE\, the main HPC resource
  provider in Europe\, BioExcel\, the leading European Center of Excellenc
 e for Computational Biomolecular Research and SNIC\, Swedish National Inf
 rastructure for Computing.\n\nPrerequisites\n\nThe workshop is at beginne
 rs level and assumes no prior experience in GROMACS.\n\nThe participants a
 re excepted to remotely attend the whole workshop. Zoom will be used to
  run the workshop remotely.\n\nThe participants need to have access to a c
 omputer where the following software were already installed: Jupiter noteb
 ook\,  GROMACS\, VMD (visualisation)\, Xmgrace (plotting tool) to active
 ly follow the tutorial. More information after registration.\n\nRegistr
 ation will open 22nd June 2020.  Note the workshop is full\, but you a
 re welcome to register to the waiting list\, using the link below.   Las
 t registration day: 31 July 2020. \n\nnumber of participants: 50 max \n
 \nPreliminary Schedule\n\nThursday 3 September 2020 (Day I)\n\n\n	09:00 
    Welcome \n	09:10-10:10 lecture I + Q&amp\;A session\n	10:10-10:40 br
 eak \n	10:40-11:40 lecture II + Q&amp\;A session\n	11:40-13:00 lunch\n	1
 3:00-14:30 tutorial\n	14:30-15:00 break \n	15:00-16:00 lecture III  + Q
 &amp\;A session\n\n\nFriday 4 September 2020 (Day II)\n\n\n	09:00-10:00 l
 ecture IV + Q&amp\;A session\n	10:00-10:30 break \n	10:30-11:30 lecture
  V + Q&amp\;A session\n	11:30-13:00 lunch\n	13:00-15:00 tutorial\n	15:00-
 15:30 final remarks  \n\n\nCourse material\n\nAll the course material 
 will be available online. \n\nContact\n\nFor more information\, contact A
 lessandra Villa \n\n \nhttps://events.prace-ri.eu/event/1033/
SUMMARY:[ONLINE] Introduction to GROMACS - A SNIC/PRACE workshop in collabo
 ration with BioExcel
URL;VALUE=URI:https://events.prace-ri.eu/event/1033/
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