[gmx-users] make_ndx may contain a bug?

[David]

On Thu, 2003-05-01 at 15:19, Paul Barrett wrote:
> Possible bug found in use of make_ndx. Sorry if it is just a mistake on
> my part...
> -------------------------------------------------------------
> (none)                              |            298
> ; this                              |            275
> ; this is                           |            265
> ; this is phosphorylated            |            261
> ; this is phosphorylated threonine  |            261
> ; (as above + 20 more characters)   |            261
> 
> I can carry on and make my simulation work but this is a nasty trap (in
> a great program) that could easily catch people unawares.
> 3) there are other comment lines in the .dat file that do not cause
> problems
Try putting your comment on the first column (insert a line).

Actually I intend to get rid of all these crappy files, but that means
work...

> many thanks
> 
> Paul Barrett
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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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