[AMBER] Experimental values about some orgnaic solvent BOX

From: wangmt <wangmt.itcs.ecnu.edu.cn>
Date: Mon, 29 Jun 2015 14:43:41 +0800

Dear ALL
  I want to make three organic solvent Boxes of cyclohexane,
chloroform and octanol to runing some MD using Amber12. I need some
experimental values of these three molecules, such as density, Enthalpy
of vaporization, isothermal compressibility etc... I tried many manners
to find these experimental values, but it's useless. If you did the same
work or you have these parameters, could you give me the parameters you
used or relevant papers?

Thanks for any help.

Meiting Wang

AMBER mailing list
Received on Mon Jun 29 2015 - 00:00:02 PDT
Custom Search