Re: [AMBER] Problem in extracting pdb file from mdcrd file

From: Elvis Martis <elvis_bcp.elvismartis.in>
Date: Mon, 14 Oct 2019 13:51:43 +0530

Hello
Try these commands
parm XYZ.prmtop
trajin prod1.mdcrd 1 50000 50
strip :WAT
strip :Na+
center :1-42
image center familiar
create crd1
run
crdout crd1 multi frames 1,last,1000
run
Best Regards



On Mon, 14 Oct 2019 at 13:39, 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
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>
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Received on Mon Oct 14 2019 - 01:30:02 PDT
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