[gmx-users] on a on-line command for
Mark.Abraham at anu.edu.au
Thu Apr 5 07:11:59 CEST 2012
On 5/04/2012 2:07 PM, Acoot Brett wrote:
> Dear All,
> In http://www-personal.umich.edu/~amadi/fwspidr_tutor.pdf
> <http://www-personal.umich.edu/%7Eamadi/fwspidr_tutor.pdf>, there is a
> *tpbconv -f *traj.trr *-s *topol.tpr *-e *ener.edr *-o *tpxout.tpr
> *--until *$VALUE
> But we know we never have the topol.tpr as I know.
> Will you please give a clarification?
Have you followed the commands up to that point? If so, you will likely
have observed grompp write such a file, which is the default filename
for grompp -o, as you can see with grompp -h.
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