Constant ph md

From: Diship Srivastava (
Date: Mon Jun 28 2021 - 08:02:29 CDT

I am starting a constant ph md on a ph activated lipopeptide (lp) insertion
into a lipid bilayer. Lp has 9 titrable residues. My questions are as
1) I have applied a cter patch during psf generation. Since there is also a
cter patch present in charmm 36 cph ff, will this also be included as a
titrable part?
2) As lp inserts into the bilayer it's environment will change. How do I
for that in cphmd?

Thanks in advance.

Diship Srivastava
IIT(ISM) Dhanbad

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