Hi amber users
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
2 TL1 H4 1 D11 H53 3.3
2 TL1 H6 1 D11 H36 4.4
2 TL1 H6 1 D11 H55 3.3
2 TL1 H7 1 D11 H55 4.4
2 TL1 H8 1 D11 H32 4.5
2 TL1 H8 1 D11 H54 5.3
2 TL1 H10 1 D11 H36 4.0
2 TL1 H10 1 D11 H55 5.9
2 TL1 H14 1 D11 H32 4.0
2 TL1 H14 1 D11 H53 5.4
2 TL1 H11 1 D11 H36 4.1
2 TL1 H11 1 D11 H55 6.4
2 TL1 H13 1 D11 H32 4.1
2 TL1 H13 1 D11 H54 6.4
Thank you very much!
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Received on Wed May 19 2010 - 01:30:03 PDT
