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Dear all,
I am trying to do dPCA using GROMACS by following this link:
https://manual.gromacs.org/documentation/2020/reference-manual/analysis/dihedral-pca.html
I have created a angle.ndx file using gmx mk_angndx command. However, when I perform gmx angle command, I got this error:
fatal error: cannot combine angles with trr dump gromacs.
Can someone explain how do I solve this?