[gmx-users] force field
nvcuong68 at gmail.com
Thu Dec 6 02:55:57 CET 2012
with alcohols I can find their force field in AMBER or others. However, I
have just got a paper regarding CTAB (
http://pubs.acs.org/doi/abs/10.1021/la302998k). They use Gromos force
field. I am attempting to find the other better one.
On 6 December 2012 09:35, Justin Lemkul <jalemkul at vt.edu> wrote:
> 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
>> 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
> 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
> gmx-users mailing list gmx-users at gromacs.org
> * Please search the archive at http://www.gromacs.org/**
> Support/Mailing_Lists/Search<http://www.gromacs.org/Support/Mailing_Lists/Search>before posting!
> * Please don't post (un)subscribe requests to the list. Use the www
> interface or send it to gmx-users-request at gromacs.org.
> * Can't post? Read http://www.gromacs.org/**Support/Mailing_Lists<http://www.gromacs.org/Support/Mailing_Lists>
More information about the gromacs.org_gmx-users