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Problem with Martini3 md run crash due to lincs warning in protein
- nanogod
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2 years 5 months ago #9212
by nanogod
Problem with Martini3 md run crash due to lincs warning in protein was created by nanogod
Hi,
I have tried to get Martini 3 to work for some time now ;) I am following the tutorial from the workshop in 2021 but with a different protein. After 500 ns or so i sometimes get a huge amount of lincs warnings with rotation above 90 degrees and the run crashes. The rotation can be about BB-BB and BB-SC. I am using elastic network with different strengths. I have tried with and without SCfix. I have no idea what is going on. Next I will try the vanilla tutorial to see if it crashes.
Anyone have any suggestions?
BR
Morten
I have tried to get Martini 3 to work for some time now ;) I am following the tutorial from the workshop in 2021 but with a different protein. After 500 ns or so i sometimes get a huge amount of lincs warnings with rotation above 90 degrees and the run crashes. The rotation can be about BB-BB and BB-SC. I am using elastic network with different strengths. I have tried with and without SCfix. I have no idea what is going on. Next I will try the vanilla tutorial to see if it crashes.
Anyone have any suggestions?
BR
Morten
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- riccardo
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2 years 4 months ago #9249
by riccardo
Replied by riccardo on topic Problem with Martini3 md run crash due to lincs warning in protein
Did the vanilla tutorial work?
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