[gmx-users] trjconv question

Nuno Ricardo Loureiro Ferreira nunolf at ci.uc.pt
Fri Apr 9 15:13:01 CEST 2004


Li Xiaoyi <xiaoyi.li at nat.oru.se> escreveu:

> Dear Gromacs users:
> 
> Did you met this problems on trjconv? When I use:
> trjconv -f -s -n -dump 0 -o 0.pdb

Do you have anything in your trr/xtc file? 
Is there any frame in this traj with dt=0? This could be a continuation run.

> I am asked to select a group. But there is nothing in my 0.pdb file at
> last. Also
> trjconv -f -s -n atom.ndx -o atom1.pdb
> 
> There is nothing in the atom1.pdb.
> 
> I use Gromacs 3.2 version.

What about just trjconv -f -s -dump 0 -o 0.pdb ?

Nuno





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