Re: merge pdb/psf files by psfgen - sets coordinates to zero

From: Chris Harrison (charris5_at_gmail.com)
Date: Fri Sep 07 2012 - 13:57:32 CDT

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Use coordpdb instead of readpdb.

Best,
Chris
On Sep 7, 2012 1:50 PM, "Jacqueline Schmidt" <
jacqueline_schmidt_1983_at_yahoo.com> wrote:

> Dear NAMD users,
> I have a question about combing pair of pdb/psf files. I hope my question
> is not repetitive!
> I am merging two pdb/psf files using:
>
> ./psfgen << END
> readpsf file1.psf
> readpdb file1.pdb
>
> readpsf file2.psf
> readpdb file2.pdb
>
> writepsf file_combined.psf
> writepdb file_combined.pdb
> END
>
> But doing it this way, the coordinates file molecules are all replaced by
> zero. I guess I have to add another command to read the coordinates before
> writing the new combined files. Could anyone please help? Thanks
> Jackie
>

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