AMBER Archive (2006)

Subject: AMBER: Density calculation

From: Jianhui (tianj_at_rpi.edu)
Date: Mon Oct 16 2006 - 16:12:24 CDT

Dear amber users,

For NPT simulation, you will find DENSITY for the whole cell in the mdout file. Instead of the total density for the whole system, I want to know the density for one cluster part (for example the folded protein cluster). Is there a command in AMBER can finish this job? If not, how can I do this? Thank you very much for any suggestion or reply.

Best regards,
  
Jianhui
tianj_at_rpi.edu
2006-10-16

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