Commit 4c45a16
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Combined fixes and updates to gen_multimap.py
Allow different deformation amplitude between leaflets, small fixes
Fix reading input from --deformation-map-mask option
Issue identified by @1004parky, mask map was initialized to 1 in all cases.
Silence NumPy warnings
Small fixes
Fix handling of PDB files in generated VMD input
Make single-map CVs optional
Allow customizing selection for COM and orientation restraints
Make generated NAMD and VMD scripts more uniform
Unify writing of Colvars input between NAMD and VMD
Add support for mapFile keyword1 parent 2c202c9 commit 4c45a16
1 file changed
Lines changed: 234 additions & 148 deletions
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