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Reverse Transformation
- Rajat Desikan
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11 years 11 months ago #947
by Rajat Desikan
Reverse Transformation was created by Rajat Desikan
Hi All
I am trying to reverse transform a membrane-protein system. During simulated annealing, the simulation runs on a single processor but crashes on multiple processors with a segmentation fault. I have used the -np options on both grompp and mdrun. Please help. Thanks.
I am trying to reverse transform a membrane-protein system. During simulated annealing, the simulation runs on a single processor but crashes on multiple processors with a segmentation fault. I have used the -np options on both grompp and mdrun. Please help. Thanks.
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- xavier
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11 years 11 months ago #949
by xavier
Replied by xavier on topic Reverse Transformation
The reverse transformation is not parallel!
Rajat Desikan wrote: Hi All
I am trying to reverse transform a membrane-protein system. During simulated annealing, the simulation runs on a single processor but crashes on multiple processors with a segmentation fault. I have used the -np options on both grompp and mdrun. Please help. Thanks.
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