Re: [AMBER] problem with the energetics of the system

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From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Wed, 16 Jun 2010 22:33:59 -0700

> Coordinate resetting (SHAKE) cannot be accomplished,

How did you equilibrate? mdin files please.

Bill

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Received on Wed Jun 16 2010 - 23:00:03 PDT

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