How to see how much pressure is set to be reasonable in MS software when do MD simulations?

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Nian Binbin

generally, we set the pressure according to the experiments, if you do not have the experiment data, you can set it to 0.1 Gpa

Qiao Lv

Thank you very much for answering my question！And based on your answer, I have a question that why it is 0.1 Gpa.I have trid to set the pressure to 0.1 Gpa,then the structure of the polymer chain was changed.for example,if 0.1 Gpa is higher than the one that I used to optimize the structure of the polymer chain,the the chain will be more compact,otherwise it will be more slack. Thank you once again!