[gmx-users] grompp problem

[Jens Pohl]

>> 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


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