[gmx-users] grompp -f em.mdp -c speptide.pdb -p \#spetide.top.1#\ -o speptide_empdb.tpr grompp -f em.mdp -c speptide.pdb -p \#spetide.top.1#\ -o speptide_empdb.tpr

chris.neale at utoronto.ca chris.neale at utoronto.ca
Thu Aug 16 05:10:55 CEST 2007


> On top of Mark's point, many programs in GROMACS uses suffix to  
> determine the file type. To use those files with name beginning #, you
> shall remove the leading and trailing # in the filename by renaming.

In some cases you may not want to rename a file. In this case you can  
use a symbolic link.

ln -s \#spetide.top.1# link.top

grompp -p link.top




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