Re: [AMBER] PTRAJ - Problem with inserting TER card

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Wed, 16 Oct 2013 09:10:02 -0600

Hi,

Try cpptraj; it will print TER cards in PDB files.

-Dan

On Wed, Oct 16, 2013 at 1:56 AM, anu chandra <anu80125.gmail.com> wrote:
> Dear Amber users,
>
> I am working with trimeric protein. I am trying to generate snapshots every
> 100th frame from simulation trajectories (mdcrd fromat) in PDB format with
> the help of PTRAJ. Unfortunately, generated PDB lack TER card in between
> the monomers. can anyone help to figure out this problem?
>
> Here is the script I used in PTRAJ.
>
> ###############################
> trajin ../md1.crd 1 2500 100
>
> trajout md1.pdb pdb
> ##############################
>
> Many thanks in advance.
>
> Regards
> Anu
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-- 
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Wed Oct 16 2013 - 08:30:02 PDT
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