AMBER Archive (2006)

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

From: Smriti Sharma (
Date: Sun Oct 15 2006 - 23:06:53 CDT

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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