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Building A Desktop PC For Research Purpose - Computers - Nairaland

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Building A Desktop PC For Research Purpose by AglowRaph(m): 8:49am On Sep 22, 2020
Please who can build a PC for Computational chemistry/Molecular modelling/Molecular docking/MD simulations research?
I just want a computer that works well for my research & is somewhat affordable.

I'm a graduate student looking forward to having a built desktop PC that is good for computational chemistry / molecular modelling / bioinformatics research. I don't know much about PC building or what computer specs would be good, so I'd really appreciate some help in figuring out the best to obtain. This is my first time trying to get a built computer and I don't really know anything about it, though I've been reading about it for a while.
The PC will need to be powerful enough to run long computations such as ligand-protein docking simulations, molecular dynamics, free-energy calculations, etc without lagging.

I plan to install Linux on this PC or install a Windows 10/Linux dual-boot (whichever is a better idea, I'd appreciate advice on which to choose and what kind of Linux distribution to install for free). I need to be able to run software such as Schrödinger Maestro, GOLD - Protein Ligand Docking Software, PyMOL, AMBER16, UCSF Chimera, Visual Molecular Dynamics - VMD, Molecular Operating Environment - MOE and GROMACS.

I especially need for the PC to be able to display good graphics of complex structures and large trajectory files with many frames without lagging too much, since I've run into lagging problems with the VMD software on some computers. I think this means I'd need a lot of memory and storage space?

I also would like to be able to run basic things like Microsoft Word, Excel and for the PC to have a CD-ROM drive.


Re: Building A Desktop PC For Research Purpose by Alfrediolu: 10:00pm On Jan 20
Hi, I would like to connect with you in this. sent you a mail already

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