[gmx-users] dihedraltypes amber forcefield

reisingere at rostlab.informatik.tu-muenchen.de reisingere at rostlab.informatik.tu-muenchen.de
Wed Sep 12 09:29:47 CEST 2012


Hi everybody,
 I get the error that something is wrong with the dihedraltype of 4 atoms
in my protein  when I use the grompp command.
I looked at the topology file which atoms are involved in this dehedraltype.
Those are the four atoms: CA CA C OS
Where can I find out the parameter for this dihedraltype so that I can add
it to the ffbonded file?

Thank you




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