[gmx-users] grompp

[Michal Walczak]

> 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. :-)


I only used the same *.mdp file but *.top files where different for
protein and for 3 aa  peptide, so it seems that I should use different
*.mdp file. Am I wrong? How could I obtain that *.mdp input for 3 aa
peptide?

Michal