AMBER Archive (2005)

Subject: Re: AMBER: average structure-ptraj

From: xueping (xueping22_at_yahoo.com)
Date: Sun Apr 10 2005 - 03:50:19 CDT

Dear all,

I am running simulation at two different temperature.
i was thinking to get the average structure for both
temperature.

I have calculate the rms for frame number 10 with the
last frame of my simualtion, the deviation is only
0.83749.

or do i need to minimize the average structure that i
get ?

thank you very much..

Regards
xueping

                
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