sarbani chattopadhyay wrote: > > Hi, > I wanted to know the correct way to use the script > fix_top_for_charmm.pl. > i did the following : > fix_top_for_charmm.pl grompp -f em.mdp -c b4em.gro -o em.tpr Use fix_top_for_charmm.pl -f em.mdp -c b4em.gro -o em.tpr Mark