[gmx-users] (no subject)

muthu12 at cox.net muthu12 at cox.net
Fri Nov 28 18:15:01 CET 2003


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




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