[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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