Hi,
You'll probably want to re-generate the topology at some point. That
said, VMD (and cpptraj, which can also convert to .xyz format) can use
a PDB/mol2 file (if you have one) as a topology file for the purposes
of coordinate conversion.
-Dan
On Mon, Mar 4, 2019 at 5:09 AM emanuele falbo <falbo.emanuele.gmail.com> wrote:
>
> Dear admin and users,
>
> I'd like to save several snapshots into xyz files from the trajectory file.
> Normally, I use vmd :
> (i) load the topology " $ vmd file.prmtop" and (ii) from the editing window
> I do open the trajectory file.
>
> However, by accident I deleted the original topology file used for the MD.
> So, I wonder if there is any way I can use to retrieve the topology file,
> or at least to save snapshots from the dynamics without it.
>
> Thanks in advance for the help.
>
> Cheers,
> Manuele
>
>
> --
>
> *Emanuele Falbo*
> PhD student
> Penfold group
> School of Natural and Environmental Sciences
> Bedson Building, Newcastle University
> Newcastle upon Tyne, NE1 7RU
> w: http://tompenfoldresearch.weebly.com/
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Mar 04 2019 - 06:00:10 PST
