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
--
==================================================================
David A. Case | e-mail: case.scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
The Scripps Research Institute | phone: +1-858-784-9768
10550 N. Torrey Pines Rd. | home page:
La Jolla CA 92037 USA | http://www.scripps.edu/case
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Received on Thu Apr 17 2003 - 18:53:01 PDT
