Dear All or anyone,
A stupid question. Is there an script anyone knows of to convert a 53a6ff from .top redirects to the gromacs/top directory to something like a ligand .itp? This is usefull at the moment. Example:
[bond]
6 7 2 gb_5
to
[bonds]
; ai aj fu c0, c1, ...
6 7 2 0.139 10800000.0 0.139 10800000.0 ; C CH
for everything (a protein/DNA complex) inclusive of angles, dihedrials?
Ive been playing with some of the gromacs user supplied files, but nothing yet.
Stephan Watkins
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