[AMBER] Fwd: Selection of chain

From: muhammad tahir ayub <tahirgp0.gmail.com>
Date: Sun, 10 May 2015 19:57:03 +0500

1) my protein(4KIK) contain two protomers (a) and (b), both have the
binding site, but protomer (b) undergo phosphorylation and make the SEP
residue while the serine of protomer (a) does not undergo phosphorylation
so which protomer should be used for molecular dynamics simulation.

2) The histidine and cystein should be parameterized for the md simulation
in Amber 12 OR NOT

*Muhammad Tahir*

*Junior Research Fellow*

*H.E.J Research Institute of Chemistry*
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Received on Sun May 10 2015 - 08:00:02 PDT
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