[gmx-users] grompp

[Michal Walczak]

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 ?


Best wishes,

Michal Walczak