On Wed, Oct 06, 2010, Jorgen Simonsen wrote:
>
>
> # makeDIST_RST
> Currently configured for up to 5000 atoms
> Using MAP file /home/amber10/dat/map.DG-AMBER
> ERROR no map function for O WAT :data= 399 WAT O 211 HIC
> ZN 2.0 2.8
The makeDIST_RST program is just an aid for converting common NMR restraints
to sander's format. For other things, I'd recommend just creating the
restraint file with a text editor, putting in the information you wish to use.
.....dac
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Received on Thu Oct 07 2010 - 05:00:04 PDT
