AMBER Archive (2003)

Subject: Re: makeDIST_RST

From: David A. Case (case_at_scripps.edu)
Date: Thu Apr 17 2003 - 11:50:14 CDT

On Wed, Apr 16, 2003, Youyi Peng wrote:

> I try to use makeDIST_RST and make a distance restraint file for two
> atoms: one from the protein and the other from the drug. The drug is
> named as MON and the atom is N20. After I typed all the command line, I
> got the following error message
>
> # makeDIST_RST
> Currently configured for up to 5000 atoms
> Using MAP file /usr/local/amber7/dat/map.DG-AMBER
> ERROR no map function for N20 MON :data= 89 ASP OD1 294 MON N20 2.6 3.5
>
> It looks to me there is no map function for the atoms from the drug.
> What can I do?

makeDIST_RST is just to help you out if you have restraints that are
commonly found in NMR. Just write the &rst namelists by hand if you
want to make restraints that makeDIST_RST doesn't know about.

..good luck...dac 

-- 

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David A. Case                     |  e-mail:      case_at_scripps.edu
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