Dear AMBER developers,
I'm Kyosuke Tsumura,
working for Fuji Film corporation in Japan.
I'm writing E-mail to ask a question about your AMBER11.
I'm very interested in 3D-RISM which is available in AMBER11,
and I want to know the computational speed and accuracy of 3D-RISM before
I buy it.
So I tested AMBER11 installed in PC environment of a Japanese vender.
Curiously, however,
I cannot find "sander.RISM" and "sander.RISM.MPI",
which are MD programs based on 3D-RISM.
And I found the following comment in the makefile for these programs:
"3D-RISM is not available yet".
This comment is confusing me.
First of all, I want you to clarify
whether MD based on 3D-RISM can be used in AMBER11.
If "sander.RISM" and "sander.RISM.MPI" are available in AMBER11,
I will buy AMBER11.
Please continue your favors toward your answer.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Sep 13 2010 - 05:00:07 PDT
