[gmx-users] Parametrisation of the cyclic nucleotides in Gromos force fields
jmsstarlight at gmail.com
Sun Dec 16 16:34:57 CET 2012
Justin, thanks again for explanation.
So the first 5 atoms in cmap.it correspond to the starting sequence of
the backbone atoms of the amino acid doesnt it ? So what is the 24 24
numbers at the end of each cmap line ?
E.g in the C NH1 CT1 C NC=O 1 24 24\ the first C B CA C N atoms would
be assigned as the backbone. That lines were added after grompp
produce error about unknown cmap for that 5 atoms of the chromophore.
Should the 24 24 \ be removed from each line of the chromophore cmap ?
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