Wtrlt: Smeart out 9/3 LJ wall

From: Sabine Leroch (sabine.leroch_at_boku.ac.at)
Date: Wed Jul 15 2009 - 07:48:07 CDT

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>>> Sabine Leroch 7/13/2009 2:36 PM >>>

Dear all

I am new to NAMD, as I found nothing related in the mailing list, I have to post following question. I need to simulate the adsorption of aminoacids in water at a graphite wall. As it is computationally very costly to use an atomic graphite slide, I want to represent the wall by a smeart out Steele 9/3 LJ potential. Is this possible with NAMD? If yes, how can I set the command in the input file?

Thank you very much

Best regards
Sabine

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