[gmx-users] Fatal error: Atom index (4) in position_restraints out of bounds (1-3)

[David]

On Fri, 2005-11-11 at 21:28 +0530, 4tejender wrote:
> Dear all,
>   during processing file for position restraint run using grompp_d (double precision) i got following error can somebody help me out to resolve this problem
> 
> thanks
> teje
> 
> calling /usr/bin/cpp...
> processing topology...
> Generated 332520 of the 332520 non-bonded parameter combinations
> Generating 1-4 interactions: fudge = 0.5
> Generated 332520 of the 332520 1-4 parameter combinations
> Cleaning up temporary file gromppO4YPpL
> -------------------------------------------------------
> Program grompp_d, VERSION 3.3
> Source code file: toppush.c, line: 1108
> 
> Fatal error:
> [ file "posreR.itp", line 8 ]:
>              Atom index (4) in position_restraints out of bounds (1-3)
> -------------------------------------------------------
itp include is in  wrong place. read ch. 5 of manual.

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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
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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