[gmx-users] force field

Justin Lemkul jalemkul at vt.edu
Thu Dec 6 02:35:08 CET 2012

On 12/5/12 8:29 PM, cuong nguyen wrote:
> Thanks for your email Justin.
> I remember you answered an email that there is a PRODRG server working with
> higher version of Gromos87. Could you show me the link please?

The server has changed and is now managed by a company.  I have not used it in 
months; perhaps the interface has changed.  One used to be able to select which 
force field to use.

> Also could you please give me the advice about other force field for my
> simulation? I am working with surfactants like alcohols, CTAB and triton
> x45.

What does a search of the literature tell you?  There are plenty of simulation 
papers regarding alcohols and surfactants.



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


More information about the gromacs.org_gmx-users mailing list