Mark.Abraham at anu.edu.au
Tue Oct 24 02:27:46 CEST 2006
Michal Walczak wrote:
> Hi there!
> I wanted to convert *. mdp file to get .tpr file and have changes in
> *.top so I put down such a command: grompp -f fullmd_sol.mdp -c
> minimized_water.gro -p aki.top -o fullmd.tpr . One fatal error occured
> saying that there was error ie\\with proccessing input file. It worked
> fine for protein, but now for 3 aa peptide it got stuck. Which input
> was incorrect? What should I do now ?
The same .top won't work for both a protein and a 3 aa peptide.
Otherwise, you'd better consult your nearest mind-reader, or actually
tell us the error message from grompp. :-)
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