GROMACS version:2020
GROMACS modification: /No
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Dear all,
I am trying to using GROMACS to do Principle Component Analysis by following this link:
http://manual.gromacs.org/documentation/2019.4/reference-manual/analysis/dihedral-pca.html
However, when I reach gmx angle, I have this error:
Fatal error: Can not combine angles with trr dump gromacs
I have look through google and cannot find much information of that error, can someone explain how do I solve this?
Best,
Ben