How to do Gromacs Protein Ligand MD Simulation in Windows Part 2

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  • เผยแพร่เมื่อ 30 ก.ย. 2024
  • How to perform protein ligand complex molecular dynamics simulation using gromacs in windows. For this Molecular dynamics simulation Ubuntu or Windows subsystem or Linux operating system is not necessary. In Previous video i have shown you how to install gromacs software in native Windows operating system. In this part we are going to see how to create Ligand topology. For ligand topology cgenff server, charm2gmx is used. Gromacs is the computationl chemistry tool for the molecular dynamics simulation.

ความคิดเห็น • 3

  • @mitsuTomiE
    @mitsuTomiE 5 หลายเดือนก่อน

    which 2EP Legand file did you use? because i found 2EP0, 2EP1,... , 2EP9, 2EPA

  • @aasimakather3070
    @aasimakather3070 5 หลายเดือนก่อน

    How to install python 3.5.2 or 3.7.3 and its related numpy