AMBER Archive (2009)

Subject: Re:[AMBER] How to change the input matrix for "analyze matrix" instruction?

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There is no way of doing that.....?
Do I have to edit the source code and recompile the system?
Thank you!

ÔÚ2009-11-18£¬cyk5056 <cyk5056_at_163.com> дµÀ£º
>Hi Amber users,
> I am using ptraj to get the correlation matrix of a trajectory and then use "analyze matrix" to diagonalize it. It works fine.
> However, I am now trying to analyze several trajectories and I get the average matrix of them by external software(Matlab). Then I do not know how to apply this matrix as the input of "analyze matrix" instruction. As far as I know, that instruction can only accept correlation matrix that is calculated for a certain trajectory, not matrix from outside. How can I use the matrix I made as the input of "analyze matrix"? Or any other suggestions?
> Thank you very much!!
>
> Best,
>
>
>
>
>cyk5056
>2009-11-18
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• Previous message: cyk5056: "Re: Re: [AMBER] Can I get an average trajectory?"
• In reply to: cyk5056: "[AMBER] How to change the input matrix for "analyze matrix" instruction?"
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