AMBER: simulation of protein in non-aq or organic solvent bath

From: Smriti Sharma <ssmriti.gmail.com>
Date: Mon, 16 Oct 2006 09:36:53 +0530

Dear AMBER users,


  I want to simulate a protein in an organic solvent. Please guide me on-

    1. How to check accuracy of the output.
    2. How to validate my procedure.
    3. What all-basic input is required to build and set up such
solvent bath around protein along with maintaining NTP conditions?
    4. Any cited references.


With Regards

Smriti Sharma

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Received on Wed Oct 18 2006 - 06:07:11 PDT
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