[gmx-users] Generate an Index File

[Justin A. Lemkul]

Jack Shultz wrote:
> I am trying to run g_dist
> 
> c:\ProgramData\BOINC\slots\0>g_dist.exe -f md.xtc -s md.tpr
> -------------------------------------------------------
> Program g_dist, VERSION 4.0.5
> Source code file: futil.c, line: 330
> 
> File input/output error:
> index.ndx
> -------------------------------------------------------
> 
> Thanx for Using GROMACS - Have a Nice Day
> so I tried mdrun with the -dn option
> mdrun.exe -dn -v -x -deffnm md
> 
> It failed to generate an index file. What am I doing wrong?
> 

You're using the wrong tool; make_ndx is used to make index groups (hence the 
name).  The -dn option of mdrun is some special function, apparently related to 
dipoles.

-Justin

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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