Sivashangari Gnanasambandam wrote:
Dear all,

I run the NPT (anisotropic) for the urea-water system. After the md run
the pressure is not closer to 1 bar but in terms of 100. Suggest me the
corrections in my parameter file.

When you post to this list, please use a Subject for your email that is relevant - please do not just reply to the last email you received and change the topic. That way you stand a chance of someone who knows about your problem reading it. This isn't a helpdesk and we aren't obliged to help you, so you stand the best chance of being helped if you make life simple for us.

Further, you'll need to provide a lot more information about what you're trying to do in order for us to suggest where you might be wrong, in the same way that ringing up a car mechanic and saying "my 1996 Toyota Camry doesn't work" doesn't get you very far....

For a start, how did you equilibrate this system? How long did you then run it for? Over how long did you collect your statistics for calculating this pressure?

Mark
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