Replica exchange in GROMACS 2019.1
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18 months ago
Joshtron • 0

Hello everyone,

I want to do REMD in Gromacs 2019.1 but no matter what I do I just doesn't work. Unfortunately, all tutorials I found online are only meant for GROMACS 4 and it seems like a lot has changed since then. The GROMACS documentation was also not very helpful in executing the actual commands. Are there any tutorials that I did not find? I'm mostly confused about -multidir. I have a well-equilibriated system and different .mdp files with different temperatures. I just cannot initiate the actual run. I guess it's not really difficult but I couldn't find anything regarding to that.

I'm very grateful for any help!

Josh

GROMACS MD REPLICA EXCHANGE • 376 views
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