[gmx-users] Weeks Chandler Andersen potential

Justin A. Lemkul jalemkul at vt.edu
Thu Feb 17 23:15:33 CET 2011

Rohit Malshe wrote:
> Hi all, 
> I want to simulate something and want to use "Weeks Chandler Andersen" 
> potential. 
> http://matdl.org/matdlwiki/index.php/softmatter:Weeks-Chandler-Andersen_Potential
> <http://matdl.org/matdlwiki/index.php/softmatter:Weeks-Chandler-Andersen_Potential>
> Is table option the only way to go ?

Buckingham and LJ are the only default van der Waals functional forms available 
by default.  So, yes, use tables.


> - Rohit


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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