Hi Bill,
Thanks a lot for your reply. I use ambpdb script to generate the pdb
structure, and view it in weblabviewer. Is there a problem?
Is there any problem with my minimization input ?
Initial minimisation of protein side chains and ions
&cntrl
imin=1, maxcyc=4000,ncyc=2000,
cut=12, ntb=0, igb=1, ntr=1,
/
Hold Res 1-1466 protein backbone constrained
10.0
FIND
CA * * *
SEARCH
RES 1 1466
END
Go on
10.0
FIND
C * * *
SEARCH
RES 1 1466
END
Go on
10.0
FIND
N * * *
SEARCH
RES 1 1466
END
END
Rgds,
C.Q.
------------------
Message: 6
Date: Wed, 20 Feb 2013 19:36:17 -0800
From: Bill Ross <ross.cgl.ucsf.edu>
Subject: Re: [AMBER] Amber 11 Installment problem
To: amber.ambermd.org
Message-ID: <n6ye6f83h3mjoyph7i0xuih3.1361417777579.email.android.com>
Content-Type: text/plain; charset=utf-8
How did you generate the pdb, and what program did you view it in?
One possibility is that there is a format incompatibility.
Bill
-------- Original message --------
From: Changqing Yan <ycqchemical.gmail.com>
Date:
To: amber.ambermd.org
Subject: [AMBER] Amber 11 Installment problem
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Received on Thu Feb 21 2013 - 19:30:02 PST
