normal itp file for cholesterol sulfate

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7 months 1 week ago #7421 by yogi@martini
yogi@martini created the topic: itp file for cholesterol sulfate
Hello Users,

Does anybody have parameter file for Cholesterol sulfate. If anybody have please share.

Thank you.

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7 months 1 week ago #7422 by bart
bart replied the topic: itp file for cholesterol sulfate
I am not aware of the model, though it might be somewhere around. If you would have to make it my suggestion would be to change the SP1 bead to a SC1 (to remove the -OH inclusion) and add an extra NQa bead to that bead. This would be the same mapping as PO4, but I dont think we can make the distinction in Martini. Let us know how it turns out.

Cheers!

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7 months 1 week ago #7423 by bart
bart replied the topic: itp file for cholesterol sulfate
I am not aware of the model, though it might be somewhere around. If you would have to make, it my suggestion would be to change the SP1 bead to a SC1 (to remove the -OH inclusion) and add an extra NQa bead to that bead. This would be the same mapping as PO4, but I dont think we can make the distinction in Martini. Let us know how it turns out.

Cheers!

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7 months 1 week ago #7426 by yogi@martini
yogi@martini replied the topic: itp file for cholesterol sulfate
Thanks Bart for the quick reply. You mean to say Qa bead and not NQa.

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7 months 6 days ago #7436 by bart
bart replied the topic: itp file for cholesterol sulfate
Yes, I put the N there to specify that is should be a normal sized bead and not an S like the others in the ring.

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