[gmx-users] Grompp-error message

[David]

On Mon, 2004-11-29 at 09:25 -0800, chandran karunakaran wrote:
> 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
It's exaclty as it says, no force field. Check chapter 5 of the manual.
Probably mixing up atom types...

> 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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-- 
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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