[gmx-users] Problem with lipid simulations

csreddy at ncbs.res.in csreddy at ncbs.res.in
Tue Apr 1 15:58:44 CEST 2008

Dear All,
I have been trying to simulate a small peptide in a DMPC lipid bylayer.
Same setup is working fine in one computer (cluster) but I am getting the
following error message in another cluster.
grompp_mpi -f test.mdp -c lipid_protein.gro -p topology.top -o test.tpr

checking input for internal consistency...
calling /lib/cpp...
processing topology...
WARNING 1 [file "lipid.itp", line 14]:
  Overriding atomtype LO
WARNING 2 [file "lipid.itp", line 15]:
  Overriding atomtype LOM
WARNING 3 [file "lipid.itp", line 16]:
  Overriding atomtype LNL
WARNING 4 [file "lipid.itp", line 17]:
  Overriding atomtype LC
WARNING 5 [file "lipid.itp", line 18]:
  Overriding atomtype LH1
WARNING 6 [file "lipid.itp", line 19]:
  Overriding atomtype LH2
WARNING 7 [file "lipid.itp", line 20]:
  Overriding atomtype LP
WARNING 8 [file "lipid.itp", line 21]:
  Overriding atomtype LOS
WARNING 9 [file "lipid.itp", line 22]:
  Overriding atomtype LP2
WARNING 10 [file "lipid.itp", line 23]:
  Overriding atomtype LP3
Cleaning up temporary file grompp16bicP
Program grompp_mpi, VERSION 3.3.1
Source code file: fatal.c, line: 416

Fatal error:
Too many warnings, grompp_mpi terminated

Please let me know how to get rid of this problem.

Thanks in advance


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