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
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