On Wed, May 19, 2010, eduardo.troche.uvigo.es wrote:
> i'm trying to put some nmr restraints to an inclusion complex,between
> a cyclodextrin and another small molecule. I have written the 7col
> file as it is explained in the tutorial,but when i send it to
> makeDIST_RST, it gives me back an empty file. i don't know if the
> program is not implemented to work with this kind of molecules, or
> simply if it is not possible to put restraints to this kind of system,
> since it is a cyclic host,and host and guest are not really
> bounded...here is the input file:
>
> 2 TL1 H2 1 D11 H51 5.1
> 2 TL1 H4 1 D11 H32 4.4
The makedist_RST program doesn't know about residues like TL1 or D11...you
would have to modify the MAP file to use this. You may find it simpler to
just create the RST file by hand.
The program *should* have told you about this problem, with errors going to
stderr. Can you say how you invoked the program? Is there some reason that
you could have been missing the error messages?
....dac
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Received on Fri May 21 2010 - 12:30:08 PDT
