[AMBER] positional restraint on crystal water

From: Sangita Kachhap <sangita.imtech.res.in>
Date: Wed, 30 Mar 2011 13:00:16 +0530 (IST)

Hello all

I have a protein-DNA complex and I have to add crystal water in MD simulation of
solvater protein-DNA complex with crystal water as well as well I have to use
positional restraint on crystal water.

So here how I discriminate between crystal water and TIP3P water for applying
positional
restraint?


Sangita Kachhap
JRF
BIC,IMTECH
CHANDIGARH


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Received on Wed Mar 30 2011 - 01:00:03 PDT