Ang: Re: [gmx-users] Help with make_ndx and

Anton Feenstra feenstra at chem.vu.nl
Tue Feb 26 12:28:35 CET 2002


Peter Ahlström wrote:
> 
> That's fine!
> - just a small portability problem to remember..

Well, we also changed the .ndx file format. The input routines will
recognize both formats, and will expect atomnumbers from zero in the
old format, and atomnumbers from one in the new format...

To remind you, the old format looked like:
CA	5
0	1	2	3	4
The new format would then be:
[ CA ]
1	2	3	4	5

-- 
Groetjes,

Anton
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|        | Anton Feenstra                                            |
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