[gmx-users] Distance restraints
Dmitry Kovaskyy
D.Kovalskyy at chem.rug.nl
Thu Feb 6 17:34:42 CET 2003
Hi,
I try to impose distance restraints on N and O atoms that should form
H-bond
The entry in top file is
[ distance_restraints ]
; ai aj type index type low up1 up2 fac
247 1195 1 3 1 0.0 0.67 0.69 2.0
atoms belong to different chains
grompp returns an error:
Fatal error: [ file "Nat_sub1.top", line 39 ]:
Atom index (247) in distance_restraints out of bounds (1-3)
What it could be?
Dima
PhD Student Dmytro Kovalskyy
MD Group
Rijksuniversiteit Groningen
Nijenborgh 4
9747 AG Groningen
The Netherlands
e-mail: d.kovalskyy at chem.rug.nl
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