[gmx-users] Converting Amber ASCII trajectory to Gromacs

[David]

On Fri, 2003-06-13 at 21:47, Mengjuei Hsieh wrote:
> Hi,
> 
> I was trying to use g_cluster to analyze my Amber trajectory. I renamed it
> to *.g87 and g_cluster called trjconv automatically. But I found even if I
> already specify it's a trajectory without box, it still asked me to enter
> the box info (so far I just type in 0 0 0). Is it a kind of bug?
Probably. Does it work anyway? You might get nonsense results.
> 
> <LOG>
>    Select File Format
> ---------------------------
> 1. XYZ File
> 2. XYZ File with Box
> 3. Gromos-87 Ascii Trajectory
> 4. Gromos-87 Ascii Trajectory with Box
> 
> Choice: 3
> 
> GROMOS! OH DEAR...
> 
> Number of atoms ? 388
> Time between timeframes ? 1
> Box X Y Z ? 0 0 0
> 
> Last frame      15919 time 7959.000
> </LOG>
> 
> Best,
> --
> Mengjuei Hsieh
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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