AMBER Archive (2005)

Subject: Re: AMBER: Time Correlation Functions with Amber

From: David A. Case (case_at_scripps.edu)
Date: Tue Nov 08 2005 - 12:43:55 CST

On Tue, Nov 08, 2005, John S Zintsmaster wrote:
>
> strip :WAT
> vector v0 @14 corr @15 out v0.out
> analyze timecorr vec1 v0 out v0_tcf.out

The "vec2 vecname2" part of the command is required (not optional, as stated
in the manual.) So, try this:

analyze timecorr vec1 v0 vec2 v0 out v0_tcf.out

Depending on your point of view, this is either a bug in the code or a bug in
the manual. I'll post an update to the Amber web page.

...hope this helps...dac

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