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#13800 03/16/07 04:31 PM
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mzzt Offline OP
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Dear Charmmers,

I wish to put a pyroglutamate residue at the N-terminus of my protein. Is this possible using charmm? (I have c29b2)
Is it possible to use pres lig1/lig2 for this purpose?

regards,
MzZt.

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rmv Online Content
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You'll probably have to define your own patch residue (PRES) for this specific case, just as has been done for the existing N-term patches. You have to be somewhat careful about choosing chemical (parameter) atom types, assumptions about transferability of parameters, and testing the result.


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