[gmx-users] grompp problem

[Jens Pohl]

> My guess is that your .mdp file is in windows format with carriage returns. Try fixing that, or at least testing it
> based on what is here:
> http://www.gromacs.org/pipermail/gmx-users/2007-July/028457.html
> 
> 
> Note that you still did not provide nearly enough info. I suggest that you run grompp then copy the entire span including your 
> command 'grompp...' to the end of the output.
> 
> Also, I just did a search for your error message:
> Source code file: grompp.c, line: 1109
> on the gromacs search site and the first link is this:
> http://www.gromacs.org/pipermail/gmx-users/2008-January/031877.html
> and the next one in that thread is a putative solution.
> 
> I suggest that look through your output and try to find the error / warning messages and search them.
> 
> Chris.
> 

Hello Chris,

thank you very much for the links, I guess they will be very helpful now and then (when the next problem occurs).

But I guess it was really the problem with the misspelling in the selection (yea instead of yes), because after that I was able to prepare three more proteins for mdrun without any error.

Thanks again
Jens

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