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kalp charge
- roshanak
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7 years 3 months ago - 7 years 3 months ago #6773
by roshanak
kalp charge was created by roshanak
hi
i'm doing membrane protein tutorial (kalp). after running insane.py, system have 4 charge. but in the tutorial, isn't mention to ion adding. isn't need to this system neutralization?
i'm doing membrane protein tutorial (kalp). after running insane.py, system have 4 charge. but in the tutorial, isn't mention to ion adding. isn't need to this system neutralization?
Last edit: 7 years 3 months ago by roshanak.
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- peterkroon
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7 years 3 months ago #6859
by peterkroon
Replied by peterkroon on topic kalp charge
Id say it's part of the solvation step. Adding counterions is almost always a good idea.
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- roshanak
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7 years 3 months ago #6886
by roshanak
Replied by roshanak on topic kalp charge
thank you for answer.
in the membrane protein's tutorial ( www.cgmartini.nl/index.php/tutorials-gen...ntroduction/proteins ) in this command:
insane.py -f kalp.gro -o system.gro -p system.top -pbc square -box 10,10,10 -l DPPC -center -sol W
was not ion and i doubt it.
in the membrane protein's tutorial ( www.cgmartini.nl/index.php/tutorials-gen...ntroduction/proteins ) in this command:
insane.py -f kalp.gro -o system.gro -p system.top -pbc square -box 10,10,10 -l DPPC -center -sol W
was not ion and i doubt it.
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