[gmx-users] no default bond for the defined 'SPECBOND'

[Li, Tong]

Dear all,

I am developing the top file for a polymer using the force field of 54a7. The top files for the head/tail and repeating monomers are well developed and they are working fine. The bond between different monomers is defined in 'sepcbond.dat', however, cannot be recognized as a default bond that has pre-defined parameters. Is there a way to modify the 'ffbond.itp' file to include the needed information? I used to change it in opls-aa, but cannot do it in the 54a7 force field as the force field parameters are defined in a different way.

Thanks very much!
Tong