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
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Jul 25 2017 - 23:00:02 PDT