[gmx-users] Re:Re: how to convert the *.cube file to a (x, y, z) format file

[sobereva]

Hi,

Thanks for your attention to gmxgrid, but discussion on the usage of gmxgrid is off-topic for this mailing list, I will answer your question privately.

--Lu Tian


> Message: 3
> Date: Thu, 26 Feb 2009 22:35:10 +0800
> From: "Jinyao Wang" <wangjy at ciac.jl.cn>
> Subject: [gmx-users] Re:Re: how to convert the *.cube file
> to a (x, y,
> 	z) format file
> To: "gmx-users" <gmx-users at gromacs.org>
> Message-ID: <435658618.11954 at eyou.net>
> Content-Type: text/plain;	charset="gb2312"
> 
> Hi Lu Tian ,
>   Thank you for your help. Your program is very useful for
> me.
>   I have run it. But I have some puzzled for the output
> files.
>  1. Running the program for getting all the data with
> x,y,z,coordinates. 
>     I got four columns data in the output files? 
>     what is the fourth column if the first three columns
> separately are X,Y,Z.   
> 	
>  2. Running the program for get the data of X-Y plane in
> specific Z.
>     I also got four colums data in the output files.
>      what is the fourth column if the first three columns
> separately are X,Y,Z. 
> 
>  3. Running the program for get the data of X-Y plane in a
> range of Z.
>     I got a three columns data in the output files.
>      what is the third column if the first two columns
> separately are X,Y.
>  
> In short, I don't know what is the last column data in
> the output files. 		
> 
> 　　　　　　　　                                   
>  Jinyao Wang
> 　　　　　　　                                     
> wangjy at ciac.jl.cn
> 　　　　　　　　　                              
> 　  2009-02-26
>