[AMBER] Query regarding 3D-RISM output

From: Rakesh Srivastava <allahabad.21.gmail.com>
Date: Mon, 4 Jun 2018 12:15:39 +0530

Hello all,

Please let me know, what exactly
*rism_totalParticles, rism_totalCharge, rism_excessParticles* and
*rism_excessCharge* values in 3D-RISM output file represent as these are
not much explained in manual. Further kindly tell whether these values also
depend on buffer distance (in other words, box volume) taken for 3D-RISM
calculation or not.

Your reply would be really helpful.

Thanks in advance.

Rakesh Srivastava
Research Fellow
School of Computational & Integrative Sciences
Jawaharlal Nehru University, New Delhi-110067
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Received on Mon Jun 04 2018 - 00:00:02 PDT
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