[gmx-users] Grompp-error message

chandran karunakaran ckaru2000 at yahoo.com
Mon Nov 29 18:25:29 CET 2004


Dear GMX users,

  I introduced a new residue in the GROMACS force
field files.
I obtained the parameters for the new residue using
DUNDEE
PRODRG server. I run Pdb2gmx, genbox and editconf
without
any error. However when I run grompp, I got the
following
error message. May I know what could be the problem
and 
remedy. Thank you very much in advance

Dr.C.Karunakaran

Back Off! I just backed up mdout.mdp to
./#mdout.mdp.19#
Warning: as of GMX v 2.0 unit of compressibility is
truly 1/bar
checking input for internal consistency...
calling c:/gromacs/bin/cpp...
processing topology...
WARNING 1 [file "temp.top", line 2590]:
  No default LJ-14 types, using zeroes
WARNING 2 [file "temp.top", line 2595]:
  No default LJ-14 types, using zeroes
WARNING 3 [file "temp.top", line 2596]:
  No default LJ-14 types, using zeroes
WARNING 4 [file "temp.top", line 2601]:
  No default LJ-14 types, using zeroes
WARNING 5 [file "temp.top", line 2608]:
  No default LJ-14 types, using zeroes
WARNING 6 [file "temp.top", line 2609]:
  No default LJ-14 types, using zeroes
WARNING 7 [file "temp.top", line 2610]:
  No default LJ-14 types, using zeroes
WARNING 8 [file "temp.top", line 2611]:
  No default LJ-14 types, using zeroes
WARNING 9 [file "temp.top", line 3767]:
  No default Angle types, using zeroes
WARNING 10 [file "temp.top", line 3769]:
  No default Angle types, using zeroes
Cleaning up temporary file gromppa02920
Fatal error: Too many warnings, grompp terminated



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