Re: makeDIST_RST

From: David A. Case <>
Date: Thu, 17 Apr 2003 09:50:14 -0700

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:
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            |
Received on Thu Apr 17 2003 - 18:53:01 PDT
Custom Search