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Cationic peptide simulation (ph 2)

Difference (from prior major revision)

Changed: 4c4

< which should be available from within /usr/local/charmm27/

to

> both of which should be available from within /usr/local/charmm27/


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

both of which should be available from within /usr/local/charmm27/