I want to learn the correct syntax how to assign scmask for two atoms
on two different molecules.
I can assign scmask to one atome on one molecule like this
scmask=':LIG.H2',
Please help me how to assign scmask if I have more than one atome.
Please also suggest how I can assign scmask to Cl- ions in the protein
If my protein complex change a charge during the transition
Regards
Imtiaz
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Received on Thu Apr 01 2010 - 07:30:03 PDT
