normal kalp charge

  • roshanak
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2 years 2 months ago - 2 years 2 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?
Last edit: 2 years 2 months ago by roshanak.

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2 years 2 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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2 years 2 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.

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