Hello,
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.
Thanks.
Rakesh Srivastava
Research Fellow
School of Computational & Integrative Sciences
Jawaharlal Nehru University, New Delhi-110067
India
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Jun 22 2018 - 10:30:02 PDT
