Skip to content

Commit 4c45a16

Browse files
committed
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 keyword
1 parent 2c202c9 commit 4c45a16

1 file changed

Lines changed: 234 additions & 148 deletions

File tree

0 commit comments

Comments
 (0)