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#18631 - 07/30/08 12:53 AM ** ERROR IN SEQRDR ** REPEATED RESID
sxn225 Offline
Forum Member

Registered: 05/02/08
Posts: 49
Hello,

I am a beginner with CHARMM.I am trying to generate psf for a residue which is repeating itself in the pdb sequentially.

My input contains the command:
read sequ pdb unit 1

In the Output I get the error :
** ERROR IN SEQRDR ** REPEATED RESID 10 110 10

From what I have gathered by going through previous discussions in the forum about this problem is that the READ SEQU command is for 1 segment and not for multiple segments.
The pdb needs to be split up for the multiple segments.

Is there anyway to override the default of the read sequ command or is there any other command which can read pdb with repetitive residue.

Any suggestion will be helpful.

Thanks,
sxn

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#18632 - 07/30/08 12:02 PM Re: ** ERROR IN SEQRDR ** REPEATED RESID [Re: sxn225]
rmv Online   content

Forum Member

Registered: 09/17/03
Posts: 8373
Loc: 39 03 48 N, 77 06 54 W
No, there is not; an important part of the READ SEQU and GENERATE commands is specifying the end patches for each polymer chain, which would be ambiguous and/or cumbersome for multiple segments. You should split the file into segment based pieces.

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