/ Hello!
/>>>/
/>>/ I've tried to prepare a file for the mdrun and when I use grompp I get the
/>>/> massage that there is a fatal error in grompp.c line 1111 or line 1109,
/>>/> respectively.
/
/>What command are you issuing? What's in the .mdp file? What is the *exact*
/>>/error message?
/>>/
/>>/Without this kind of information, you'll get no useful advice.
/>>/
/>>/-Justin
/>>/
/>>>/
/>>>/ Thank you very much in advance
/>/> >Jens
/>Hello Justin,
My commands for grompp were:
grompp -f ../grompp.mdp -po test -c test -p test -pp test_pp -o test
The grompp.mdp file is the one that can be found in the manual (long version
with coments) and the output of grompp was:
-------------------------------------------------------
Program grompp, VERSION 3.3.1
Source code file: grompp.c, line: 1109
Fatal error:
There were 1 error(s) processing your input
-------------------------------------------------------
Jens
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.
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