[gmx-users] on a on-line command for

Mark Abraham 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 
> command
> *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.

Mark
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20120405/2dbc3c3a/attachment.html>


More information about the gromacs.org_gmx-users mailing list