Hi everyone,
I need to buy a new laptop. I do the first steps of molecular dynamics by GROMACS (on Ubuntu) with my laptop, but I don't need to do equilibration or final MD run here, I do them on another computer. On the laptop, I just set up the molecular system and do a minimization. Also, I need the laptop to see the pdb files of the dynamics of the final MD runs. I use VMD for it.
Would you please tell me what ram in the graphics card do I need (about its minimum)?
And would you please let me know about the other laptop requirement, such as CPU, RAM, hard, and ...?
Thanks
You mean you just need to create initial set up files for your MD simulation. I think for this any laptop with minimum of 4GB to 8GB ram or (If you have a dedicated graphics card) will do. But make sure the Gromacs version you use for generating initial files and running equilibration and production MD should match. For VMD, as per the VMD home page it requires a pentium class machine with at least 512MB of RAM, and a 16-bit color video as a minimally useful configuration. And systems these days much more advanced than this minimum required configuration. So you can go with any i3, i5, i7 or a gaming laptop (if you can spend more).
Regards
Thank you for your answer.
I have used an HP core i5 laptop, 4 GB RAM with the graphics card of Intel HD Graphics 4000, for more than 5 years. I think its graphics card doesn't have RAM and uses from laptop RAM. When each day I opened VMD and saw 3 or 4 PDB files (each one 1-2 GB), it hanged and became very hot. The laptop was used for about 12 hours a day, for simulation (such I described in the last post), python programming, and some simple daily works. So do you think that I need a laptop with a high "RAM in the graphic card"? Or for graphic card 2 GB RAM will be adequate? (Because someone told me that I will need 4GB, but I doubt about it)
Thanks
I use TOSHIBA dynabook A50-D, and has pretty good speed.
Specifics:
Processor : Intel(R) core (TM) i7 7500 U
speed: 2.7 GHz to 2.9 GHz
RAM : 16 GB
Hard Disk : 500 GB
I would advise to go for something similar
In theory, any laptop could support vmd installation. The problem comes when you want to analyze your data, as there are some simulations that contains several frames and the laptop would not support all the information. So, the principal point for vmd use is the memory (at least it have been for me). Of course, it would be better to have a GPU, which supports the analysis too. Note that I refer only for analysis matters, simulations and additional calculations may require more computational power. Finally, I would advise you to work with 32 GB of RAM, that would be enough for large simulation analysis.
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