[gmx-users] Two [ dihedrals ] Sections in Topology
Lara Bunte
lara.bunte at yahoo.de
Tue Mar 6 20:15:47 CET 2012
Hi
After pdb2gmx I got two [ dihedrals ] sections in the topology file.
[ dihedrals ]
ai aj ak al funct c0 c1 c2 c3 c4 c5
2 1 19 8 5
6 8 9 10 5
6 8 19 1 5
[ dihedrals ]
ai aj ak al funct c0 c1 c2 c3
1 8 6 4 2 180 100
1 2 4 5 2 180 100
1 10 11 13 2 180 100
Why is pdb2gmx doing this? I commented the first block out. Is this allowed?
Greetings
Lara
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