[gmx-users] (no subject)

[David van der Spoel]

On Fri, 28 Nov 2003 muthu12 at cox.net wrote:

>Dear friends, 
>How could be possible to introduce distance restraint btween drug molecule and proteins. I have tried 
>
>[ distance_restraints ]
>; ai    aj      type    index   type    low     up1     up2     fac
> 2069   2183     1        0      2      1.2     1.4     1.5     1.0
>; Include Position restraint file
>2060 protein atom 2183 drug atom 
>Fatal error: [ file "br.top", line 14076 ]:
>             Atom index (2069) in bonds out of bounds (1-3)
>thank you
>
check the archives. this has come up many times.
don't know if it i9s possible though.y
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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