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Joined: Jun 2020
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cm14sjm Offline OP
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Hello, how do I generate a new peptide without a PDB, in a linear conformation from its amino acid sequence? It has been a few years since I did this and I no longer have the input file, but I remember something like GENERATE PEPT 5 ALA ALA ALA etc. Also, once I have that command how do I simulate that peptide, do I just go ahead into the DYNA section or do I need to write a PDB first? I have tried googling it but found nothing.


Thanks a lot!

Joined: Sep 2003
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rmv Online Content
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Have you tried the Script Archive forum at this site?

See also charmmtutorial.org


Rick Venable
computational chemist


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