[AMBER] How to keep Graphene sheet fixed during MD simulation.

From: hai wei <weihy61.gmail.com>
Date: Mon, 7 Nov 2011 07:51:06 +0800

Dear Amber users:

I am runing a MD simulation with protein on top of Graphene sheet, During
the simulaiton, I try to fix the graphene sheet while adding the following
input:


hold the protein fixed

500.0
RES num1 num2
END
END

While I found that the Graphene sheet does not fixed as it should be, There
are still some ripples shown.

How to fix the Graphene sheet? any suggestion?

THanks.

haiya
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Received on Sun Nov 06 2011 - 16:00:03 PST
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