ContactAngleCalculator

Y. Wang

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Jun 1, 2024, 6:46:43 PM6/1/24

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范云龙

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Jul 4, 2024, 1:08:15 AM7/4/24

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尊敬的老师

在使用您计算接触角的代码时，无法得出正确结果。计算模型为半径为40埃的水滴，我设置的计算参数为cac 2l3.xyz 2l3.xyz xy 0 0 1 {index 1 to 32700} 3 0.0324 0.1 13 0.5 5。

请问是有哪里不对的吗？

Dear teachers
I can't get the right result when using your code to calculate the contact angle. The calculation model is a water droplet with a radius of 40 angstroms, and I set the calculation parameters as:cac 2l3.xyz 2l3.xyz xy 0 0 1 {index 1 to 32700} 3 0.0324 0.1 13 0.5 5

Is there something wrong?

On Sunday, June 2, 2024 at 6:46:43 AM UTC+8 yuxiang...@gmail.com wrote:

ContactAngleCalculator

Tools from yuxiangwang321

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Jul 4, 2024, 1:12:35 AM7/4/24

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Hi Yunlong,

I cannot see your model. But from your command, I guess you may use the wrong atom selection {index 1 to 32700}. In VMD, the atom index starts from 0, so try {index 0 to 32699} instead.