[gmx-users] Re:confusion regarding tpbconv

[Mark Abraham]

Anamika Awasthi wrote:
> 
>  > shall we mention in this way?
>  > steps:
>  > 1- tpbconv -f old.trr -e old.edr -s old.tpr -o new.tpr
>  > 2- mdrun -v -deffnm new.tpr

As "mdrun -h" tells you, "-deffnm xxx" sets the default filename for all 
file options. What it doesn't say is that it sets the default filename 
*prefix*. As with other GROMACS behaviour, file types are guessed if not 
explicitly given. Thus I'd avoid giving an explicit file type and use 
"-deffnm new"

Mark