# MDS error related to cgenff

**URL:** <https://gromacs.bioexcel.eu/t/mds-error-related-to-cgenff/6828>\
**Category:** User discussions\
**Created:** [July 13, 2023, 10:16am UTC](https://gromacs.bioexcel.eu/t/mds-error-related-to-cgenff/6828 "2023-07-13T10:16:56Z")\
**Posts on this page:** 1\
**Page:** 1

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**Author:** ![isha](https://avatars.discourse-cdn.com/v4/letter/i/22d042/32.png) [@isha](https://gromacs.bioexcel.eu/u/isha)\
**Post date:** [July 13, 2023, 10:16am UTC](https://gromacs.bioexcel.eu/t/mds-error-related-to-cgenff/6828/1 "2023-07-13T10:16:56Z")

</div>

python cgenff\_charmm2gmx\_py2.py LIG lig.mol2 lig.str charmm36-jul2022.ff  
NOTE 1: Code tested with python 2.7.12. Your version: 2.7.17 (default, Mar 8 2023, 18:40:28)  
[GCC 7.5.0]

NOTE 2: Please be sure to use the same version of CGenFF in your simulations that was used during parameter generation:  
–Version of CGenFF detected in lig.str : 4.6