[gmx-users] can not write a gro file without atom names

Jochen Hub jhub at gwdg.de
Mon Mar 13 14:13:52 CET 2006

Do you want to create a really short trajectory with only two frames, or 
do you want to create a structure with both structures given in your gro 
files in it?

In the latter case, turn you gro files into pdb (editconf), use "cat 
a.pdb b.pdb > c.pdb" and remove the ENDMDL and TER lines by hand.


Viswanadham Sridhara wrote:

> Hi everyone,
> I am trying to concatenate two .gro files obtained from two separate 
> trajcetories.
> It says "can not write a gro file without atom names" with trjcat command.
> Any suggestions or any more info you required??
> Thanks,
> -Viswam.
> -- 
> Viswanadham Sridhara,
> Graduate Research Assistant,
> Old Dominion University, "VIRGINIA".
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Jochen Hub
Max Planck Institute for Biophysical Chemistry
Computational biomolecular dynamics group
Am Fassberg 11
D-37077 Goettingen, Germany
Email: jhub[at]gwdg.de

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