On Fri, Aug 14, 2015 at 1:59 AM, Robin Jain <robinjain.chem.gmail.com> wrote:
> *(Density 0.01481035625 has been converted to molecule/ang.-3)*
> Now after using both input i got wrong g(r) value, when i look the
> literature value. so what is wrong with me, Please help me in this regard.
Without knowing what MeOH parameters you used and how you ran your
simulations we can only speculate. Maybe the parameters you used
aren't ideal. Tough to say without more information.
-Dan
>
> --
> Robin Jain
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Aug 14 2015 - 09:00:04 PDT
