[AMBER] Query regarding 3D-RISM

From: Rakesh Srivastava <allahabad.21.gmail.com>
Date: Wed, 26 Jul 2017 11:25:57 +0530

Hello everyone,

I want to know what are the basic differences among various versions of
.xvv file of solvent description because --polarDecomp option uses higher
versions. Another thing I want to know, is there any option to provide
initial guess of the solution to numerical solver in 3D RISM ?

Thanks in advance.

Rakesh Srivastava
Research Fellow
School of Computational & Integrative Sciences
Jawaharlal Nehru University, New Delhi-110067
India
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Received on Tue Jul 25 2017 - 23:00:02 PDT
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