[AMBER] Problem related to the correlation function

From: Sindrila Dutta banik <sindrila.duttabanik.yahoo.com>
Date: Thu, 4 Aug 2011 22:29:57 +0530 (IST)

Hi All!!
 
I am computing a correlation function using the following script
 
trajin MD.mdcrd
vector v0 .5 corr .6 order 2
vector v1 .7 corr .8 order 2
analyze timecorr vec1 v0 vec2 v1 tstep 1.0 tcorr 100.0 out v0.out
 
I have few enquiry such as
(i) what the tstep mean?      (ii) what does mean by tcorr?     (iii) For a vector as mentioned in the above script 'order 2' is correct?     (iv) For the present calculation the value correlation function is very high. after a long time? is there any wrong in script file? How shall I corss check?
 
with best regards
sindrila
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Received on Thu Aug 04 2011 - 10:30:02 PDT
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