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

4tejender 4tejender at indiatimes.com
Fri Nov 11 16:58:46 CET 2005


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)
-------------------------------------------------------

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