[gmx-users] Martini force field for inhibitors

XAvier Periole x.periole at rug.nl
Fri Aug 29 10:10:25 CEST 2014


There are a few review article where the strategy and guidelines are described. You can find this material on the cgmartini.nl website. 

> On Aug 29, 2014, at 2:03, Sridhar Kumar Kannam <srisriphy at gmail.com> wrote:
> 
> Dear Gromacs users,
> 
> I have very recently started working with  Gromacs and Martini force field.
> I am able to generate the coarse-grained model for HIV Protease (1hvr.pdb).
> I want to simulate the protein along with its inhibitor. Are there any
> guidelines for building (coarse-graining) its inhibitor ?
> 
> Sorry for the naive question ...
> 
> Thank you.
> 
> 
> 
> 
> 
> 
> -- 
> Cheers !!!
> Sridhar  Kumar Kannam :)
> -- 
> Gromacs Users mailing list
> 
> * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!
> 
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> 
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-request at gromacs.org.


More information about the gromacs.org_gmx-users mailing list