[AMBER] different dielectric constant value for polar non-polar hydrophobic residue in MMGBSA

From: bharat lakhani <lakhbharat.gmail.com>
Date: Wed, 30 Dec 2015 00:47:05 -0500

Dear Amber user

Is there way by which i can provide different value of different dielectric
constant value for polar non-polar hydrophobic residue in MMGBS. My input
file looks like this. Thanks

Sample input file for GB and PB calculation
&general
startframe=5, endframe=100, interval=5, verbose=2, keep_files=0,
/
&gb
igb=5, saltcon=0.150,
/
&pb
istrng=0.15, fillratio=4.0
/ 

-- 
regards
Bharat Lakhani
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Received on Tue Dec 29 2015 - 22:00:03 PST
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