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1

GROMACS version:2020.1-Ubuntu-2020.1-1
GROMACS modification: No
Here post your question Hi, will the whole simulation process take less time if we use google collab gpus?

Thank you.

2

That depends on whether or not those GPUs are faster than hardware you have available to you locally. If so, then sure, they’ll be faster. But we have no way of answering this directly.

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Thank you, Sir

4

Sir,
Should we use the MD simulation of protein ligand docking or protein in only presence of water for our study? Because in the real system these might come in contact with many molecules in the cell or that matter on the outer membrane surface of the cell.

Thank you.