[AMBER] Difference between frcmod and mdl parameters

From: Rakesh Srivastava <allahabad.21.gmail.com>
Date: Fri, 22 Jun 2018 22:46:43 +0530


Can anyone please tell me that why size and epsilon parameters for ions
(like Na+) in the frcmod
file and the mdl file (which is used in rism1d) are different. Actually,
the size difference is not only of a factor of 2^(1/6) and epsilon values
are quite different (though units in both are kcal/mol mentioned in manual).

Any help will be highly appreciated.


Rakesh Srivastava
Research Fellow
School of Computational & Integrative Sciences
Jawaharlal Nehru University, New Delhi-110067
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Received on Fri Jun 22 2018 - 10:30:02 PDT
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