[gmx-users] Creating Forcefield without ffbonded.itp
Momin Ahmad
momin.ahmad at kit.edu
Thu Mar 1 16:40:10 CET 2018
Hello,
is it possible to include all needed bonded parameters (bond lenght,
bond angle,...) in the .rtp file and ignore the ffbonded.itp completely?
Such case would be if a molecules structure has specified parameters
which only fit said structure. According to the manual bond length and
angle should be possible but the force constants are not mentioned.
Greets,
Momin
--
Momin Ahmad
Karlsruhe Institute of Technology (KIT)
Steinbuch Centre for Computing (SCC)
Hermann-von-Helmholtz-Platz 1
76344 Eggenstein-Leopoldshafen
Phone: +49 721 608-24286
E-Mail: Momin.Ahmad at kit.edu
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