[gmx-users] pdb files from trajectory

Mohsen Ramezanpour ramezanpour.mohsen at gmail.com
Sun Jul 7 11:57:24 CEST 2013


Dear Shima

What is the name of your .tpr file?
If you had not chosen any name for it, Gromacs will generate a
topol.tpr for you and in my idea this error will not occur,
if not, you have to mention your file (e.g. Filename.tpr) explicitely
in your command line!

I hope this help you
Best

On Sun, Jul 7, 2013 at 2:21 PM, Shima Arasteh
<shima_arasteh2001 at yahoo.com> wrote:
> Dear gmx users,
>
> I' d like to get pdb files from trajectory, then used the trjconv,
>
>
> # trjconv -f trajout.xtc -o out.pdb -sep
>
>
> It gives fatal error as this:
> Can not open file:
> topol.tpr
>
>
>
>
>
> Sincerely,
> Shima
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