Hi,
The default mode of PDB 'trajout' is to write multiple models to the
same file (the 'model' keyword). Specify 'multi' if you want each
frame to a separate file. See the manual for full details.
-Dan
On Mon, Oct 14, 2019 at 4:07 AM Airy Sanjeev <airy.sanjeev01.gmail.com> wrote:
>
> Dear Amber User,
> I tried to extract pdb file from a single mdcrd file but could not get
> multiple pdb files instead I got only one pdb file. I actually need 50 pdb
> files atleast. The trajectory file is 100 ns. A total of 50000 frames are
> there and I have used ntwx=1000. This was my input file. Kindly help me in
> this regard.
>
> --
> with best regards,
> Airy Sanjeev, PhD
> Post Doctoral Fellow
> Indian Institute of Technology Guwahati, Guwahati
> Assam-781039, India
> _______________________________________________
> 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 Wed Oct 16 2019 - 08:00:02 PDT