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

Li, Tong tongli at udel.edu
Thu Oct 19 15:25:21 CEST 2017

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!

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