[gmx-users] (no subject)

[Maarten Wolf]

I run into a problem with trjconv -center -pbc whole. The -center
option places my molecule at the edge of the box instead of in the
center. I checked the archive to see if anyone else had the same
problem and I found that in jan. dr. Dallas Warren encountered the same
problem. However the thread stopped and I could not find the solution.
The last message was:

>David,
>
>>Did you check the coordinates with gmxdump or so? There's a bug in
ngmx
>>that shifts molecules when their coordinates are correct, so ngmx is
not
>>a good test...
>
>I used trajconv on a .gro file of one of the frames to see what it did
>and 
>checked the values in that.  It does handle gro and xtc files in the
>same 
>manner?  I also do all my visualisation using VMD, so the bug in ngmx
>is 
>not an issue.
>
>Catch ya,
>
>Dr. Dallas Warren

Is there a follow up or does anyone know a solution?

Greetings
Maarten Wolf


	
	
		
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