AMBER Archive (2002)

Subject: Re: makeDIP_RST.dna

From: Vickie Tsui (vickie_h_tsui_at_hotmail.com)
Date: Wed Jul 24 2002 - 18:49:57 CDT

makeDIP_RST.dna takes two arguments: the first is a file containing the
restraints in the format of:

  resnum atom1 atom2 coupling

and the second is the PDB file (cannot contain chain id).

If you still have trouble, check the PDB file to make sure it's standard
amber format with amber atom names. Also you can check the script itself to
make sure the pair of atoms you're interested in are in fact included in the
script.

Vickie

>From: "McAteer, Kathleen" <Kathleen.McAteer_at_pnl.gov>
>To: "'amber_at_heimdal.compchem.ucsf.edu'" <amber_at_heimdal.compchem.ucsf.edu>
>Subject: makeDIP_RST.dna
>Date: Wed, 24 Jul 2002 12:24:42 -0700
>
>Dear Amber users,
>
>Has anyone tried to generate a file containing residual dipolar restraints
>using makeDIP_RST.dna? When I attempt to do this my output files are empty.
>Typing makeDIP_RST.dna -help doesn't work either so perhaps I am not using
>makeDIP_RST.dna correctly.
>Thanks!
>
>Kate McAteer
>
>Pacific Northwest National Laboratory
>Box 999, K8-98
>Richland, WA 99352
>
>(509)373-5148
>
>kathleen.mcateer_at_pnl.gov
>

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