[gmx-users] Problems with GROMPP

chris.neale at utoronto.ca chris.neale at utoronto.ca
Tue Jan 15 18:10:35 CET 2008

>> I'd echo Justin's request for your *actual* commands. Computers are very
>> literal, and we'd rather have your original commands than something
>> that's clearly been filtered through your head. If the above reflects
>> your actual use of wildcards on the command line, that sounds like a
>> possible source of problems.
>> Mark
> Of cause I didn't use those wildcards, but instead of the * I used   
> the name of the file xxx, so that for pdb2gmx it reads
> ~$: ../bin/pdb2gmx -f ./xxx.pdb -o ./out -p ./out -q ./out.pdb -n   
> ./out -i ./out
> In the meantime I've redone it several times and finally got some   
> input files for grompp and mdrun (next problems ahead, but I try to   
> solve them ;-)  )
> Jens

Hi Jens,
When some people have already donated their time to assist you and  
then you figure it out on your own, I suggest that you consider  
posting a description of the actual problem and the solution that you  
found. It will enhance your chances of getting a timely reply to your  
next problem.


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