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Marcelo Depolo Poleto

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03/21/2017

02:19 PM GROMACS Bug #2144: Dihedral_restraints options is broken for 5.X versions in GROMPP
What is the use for two dihedral restraints (A and B)?
The error message is also confusing: it says it expects 3 o...

03/20/2017

07:14 PM GROMACS Bug #2144: Dihedral_restraints options is broken for 5.X versions in GROMPP
The right insertion is below:
[ dihedral_restraints ]
; ai aj ak al phi dphi kfac
5 1 2 3 90 0 1
07:11 PM GROMACS Bug #2144 (Closed): Dihedral_restraints options is broken for 5.X versions in GROMPP
Hi,
When applying the dihedral_restraints option in my topology file, it yields a grompp fatal error.
Topology ...

08/25/2015

12:21 AM GROMACS Bug #1813: gmx dos
Respective .trr and .tpr uploaded
12:10 AM GROMACS Bug #1813 (Closed): gmx dos
gmx dos (version 5.0.6) yields in a fatal error, even though previous versions (5.0.1 and 5.0.4) can run the command ...

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