GROMACS version:2026.2
Ubuntu version: Ubuntu 26.04 LTS
How to convert my mol2_fix file in CGENFF? Whenever i am uploading my file it showed error in converting.
* Toppar stream file generated by
* CHARMM General Force Field (CGenFF) program version 4.0
* For use with CGenFF topology and parameter files version 5.0
*
read rtf card append
* Topologies generated by
* CHARMM General Force Field (CGenFF) program version 4.0
* For use with CGenFF topology and parameter files version 5.0
*
36 1
! "penalty" is the highest penalty score of the associated parameters.
! Penalties lower than 10 indicate the analogy is fair; penalties between 10
! and 50 mean some basic validation is recommended; penalties higher than
! 50 indicate poor analogy and mandate extensive validation/optimization.
RESI UNL 0.000 ! param penalty= 0.900 ; charge penalty= 0.553
this is the output of my mol2_fix file in CGENFF servere: The mol2 file that was used cannot be converted to Gromacs format.