[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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