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Martinize trajectory?
- mason
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1 year 4 months ago #9543
by mason
Martinize trajectory? was created by mason
Hi folks,
I want to compare measurements between my CG simulations and some AA reference data, so I'm looking at martinizing my AA trajectories. I have a script that does this one frame at a time using .gro files, but that's pretty slow and pretty redundant. Is there a better way maybe I'm not thinking of?
Best,
Mason
I want to compare measurements between my CG simulations and some AA reference data, so I'm looking at martinizing my AA trajectories. I have a script that does this one frame at a time using .gro files, but that's pretty slow and pretty redundant. Is there a better way maybe I'm not thinking of?
Best,
Mason
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- riccardo
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1 year 4 months ago #9544
by riccardo
Replied by riccardo on topic Martinize trajectory?
One way to do this is to use "gmx traj". See, e.g., step 3 of this tutorial:
github.com/ricalessandri/Martini3-small-...atomistic-simulation
.
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