Lindqvist - a blog about Linux and Science. Mostly.
Pages
(Move to ...)
Home
Computational Chemistry Software
Chemistry
Wine
Kernel
Misc. Linux
OS X/Windows
whoami
▼
Showing posts with label
oniom calculations
.
Show all posts
Showing posts with label
oniom calculations
.
Show all posts
04 May 2012
135. Oniom in gaussian -- with a little bit of help from gromacs and openbabel
›
Example -- I want to do explicit solvent modelling of methanol in water. This is obviously an articifical approach, but generally applicable...
›
Home
View web version