[gmx-users] define new bond

[fantaman]

Dear GROMACS users,

if I want to define a new bond, should I define it in the [ bonds ] section
of the corresponding [ aminoacid ] section in top/aminoacid.rtp or should I
leave this section (I mean [ bonds ]) empty and introduce the bond in the
file forcefield.ff/ffbonded.itp? If I have to introduce the bond in the
ffbonded.itp, I wouldn't know how to make it since the file I have inherited
presents lists for gb's, ga's, gi's and gd's and then in the end sections
for special bonds, but new bond parameters are never there...

Thank you in advance! 

--
View this message in context: http://gromacs.5086.x6.nabble.com/define-new-bond-tp5016127.html
Sent from the GROMACS Users Forum mailing list archive at Nabble.com.