Closed andrewsb8 closed 3 months ago
Fixes some bugs in setDihedralList. Added residue name to input dihedral list file. Adds optional argument to print dihedrals to a file with -d. It is formatted so that the angles can be manipulated and provided as input to setDihedralList.
setDihedralList
-d
Fixes some bugs in
setDihedralList
. Added residue name to input dihedral list file. Adds optional argument to print dihedrals to a file with-d
. It is formatted so that the angles can be manipulated and provided as input tosetDihedralList
.