[AMBER] Options for nonpolar solvation free energy calculation with mm_pbsa.pl

From: 龚乾坤 <m201770109.hust.edu.cn>
Date: Mon, 17 Sep 2018 10:50:56 +0800 (GMT+08:00)

Dear Amber developers,

Because I want to use the mode "Parse Radii", but in my tleap script,

I have set radii which is "set default PBRadii mbondi2".I want

to ask whether it is no problem ,If I use "Parse" parameters.(namely,

should I set default PBRadii mbondi2 in tleap script or

set other things?)

 

Many thanks,

Qiankun.

  

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Received on Sun Sep 16 2018 - 20:00:03 PDT
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