AMBER Archive (2007)

Subject: AMBER: getting same box dimension

From: bertrand russell (betrussell23_at_gmail.com)
Date: Sun Feb 25 2007 - 23:27:40 CST

Dear Amber users,

I am trying to run a simulation with a system which already has been
equilibrated. In order to alter coordinates of a particular atom I created a
.pdb file and altered the coordinates. Previously I equilibrated and ran a
production run of around 5ns. Now I want to run leap to generate new .crd
and .top files for the coordinate altered system to continue my run. How can
I get the same box dimension of my previous run? Many thanks in advance. 

-- 
Live Life; Don't pass it
Bertrand.P.S.Russell
+91-9894398441

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