---------- Forwarded message ----------
From: krati sharma <krati84.gmail.com>
Date: Fri, Apr 6, 2012 at 3:26 PM
Subject: Problem?
To: amber-subscribe.ambermd.org
Hi there
I want to minimize a protein in solvent with distance dielectric. Please
confirm which parameters I should follow:
Initial minimization of protein
&cntrl
imin=1,
maxcyc=1000,
ncyc=100,
ntb=0,
igb=0,
cut=16,
dielc=4,
&end
&ewald
eedmeth=5,
&end
/
or
Initial minimization of protein
&cntrl
imin=1,
maxcyc=1000,
ncyc=100,
ntb=0,
igb=1,
cut=16,
dielc=4,
&end
&ewald
eedmeth=5,
&end
/
Can anyone provide me the link to know more about ntb and igb ?
Krati
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Received on Fri Apr 06 2012 - 03:00:03 PDT
