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2024-04-26
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2024-04-25
Editing Cationic peptide simulation (ph 2)
The difficulty is building a protonated (COOH) C-terminal group. The solution is simple: use a modified version of the CHARMM parameter and topology files which will build a protonated carboxy terminus. The names of the files you need are * par_all27_prot_na_with_COOH.inp * top_all27_prot_na_with_COOH.inp both of which should be available from within /usr/local/charmm27/
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This change is a minor edit.
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Replace this text with a file.