[AMBER] questions when doing nmode

From: xueqin pang <pangxueqintea.yahoo.com.cn>
Date: Thu, 28 Jan 2010 19:22:29 +0800 (CST)

Hello everyone,
 
       I am trying to work with nmode now and wanna to know why the default value for DIELC is 4?
      Secondly, I want to do a minimisation before nmode and try to keep that confirmation during nmode minimisation. In this case what is the biggest DRMS to use. And do I have to use the input values in nmode-minimisation as well as strip all the water molecular?
 
Thanks for your kind help
 
Pang Xueqin
 
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Received on Thu Jan 28 2010 - 03:30:03 PST
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