AMBER Archive (2009)

Subject: [AMBER] momentum in MD simulation

From: dhacademic (dhacademic_at_gmail.com)
Date: Mon Aug 31 2009 - 09:37:42 CDT

Dear amber users,

I found that the center of mass of my system (PBC) will change after MD simulations by using PMEMD. So I check the momentum of the system. The total momentum of the whole system should be zero. But in my case, the momentum in x, y and z directions are all nonzero. What's wrong?

Any suggestion is appreciated.

2009-08-31

dhacademic
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