[AMBER] Thanks

From: Sindrila Dutta banik <sindrila.duttabanik.yahoo.com>
Date: Sun, 17 Jul 2011 11:13:41 +0530 (IST)

Thanks for your kind reply.
 
Now it is working as I mention the "vec2".
 
With best regards
Sindrila

From: case <case.biomaps.rutgers.edu>
To: Sindrila Dutta banik <sindrila.duttabanik.yahoo.com>; AMBER Mailing List <amber.ambermd.org>
Sent: Sunday, 17 July 2011 12:48 AM
Subject: Re: [AMBER] Problem related to the Corelation Function

On Sat, Jul 16, 2011, Sindrila Dutta banik wrote:

> trajin MD.mdcrd
> vector v0 .5 corr @6 order 2
> vector v1 .7 corr @8 order 2
> analyze timecorr vec1 v0 tstep 1.0 tcorr 100.0 out v0.out

You have to give both the "vec1" and the "vec2" keywords, even if you want an
autocorrelation function where both vec1 and vec2 are the same.

....dac


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Received on Sat Jul 16 2011 - 23:00:02 PDT
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