[gmx-users] grompp error

Nusrat JM Sanghamitra nusrat at ipc.iisc.ernet.in
Thu Dec 20 21:50:29 CET 2001

I am trying to to run MD for a copper complex. I have written a topology
file for it as PRODRG server is not supporting to write it 
I included
"ffG43a1.itp" in it then to preprocess while i do 
grompp-v -f em -c b4em -o em -p cuthp it is giving the
error: could any of you please go through it and suggest me the correct
way of doing it?
while processing topology...
Warning 1 [file "/usr/local/share/gromacs/top/ffG43a1nb.itp", line 3]:
  Overriding atomtype O
Warning 2 [file "/usr/local/share/gromacs/top/ffG43a1nb.itp", line 4]:
  Overriding atomtype OM
Warning 3 [file "/usr/local/share/gromacs/top/ffG43a1nb.itp", line 5]:
  Overriding atomtype OA
Warning 4 [file "/usr/local/share/gromacs/top/ffG43a1nb.itp", line 6]:
  Overriding atomtype OW
Warning 5 [file "/usr/local/share/gromacs/top/ffG43a1nb.itp", line 7]:
  Overriding atomtype N
Warning 6 [file "/usr/local/share/gromacs/top/ffG43a1nb.itp", line 8]:
  Overriding atomtype NT
Warning 7 [file "/usr/local/share/gromacs/top/ffG43a1nb.itp", line 9]:
  Overriding atomtype NL
Warning 8 [file "/usr/local/share/gromacs/top/ffG43a1nb.itp", line 11]:
  Overriding atomtype NZ
Warning 9 [file "/usr/local/share/gromacs/top/ffG43a1nb.itp", line 12]:
  Overriding atomtype NE
Warning 10 [file "/usr/local/share/gromacs/top/ffG43a1nb.itp", line 13]:
  Overriding atomtype C
Cleaning up temporary file /tmp/fileseLzVb
Fatal error: Too many warnings, grompp terminated
so i removed it and included ions.itp that also gave error -----atom type
K not found.
I thought to remove ffG43a1nb.itp from ffG34a1.itp but i am not able to
modify the forcefields in /usr/local/share/top directory, it says it is
so i created separate itp files and tried to include in em.mdp option
-I/home/name/my_lib but there also it is giving error.
could any of you please help me out?

I will disgrace him who intends to disgrace thee. And I will assist him
who undertakes to assist thee. (A revelation to Promised Messiah ).  
Never be afraid to try something new. *
Remember that amateurs built the ark. *
Professionals built the Titanic.      * 

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