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
