Re: [gmx-users] Martini FF for Sec structure changes...

2012-10-10 Thread XAvier Periole
Martini FF cannot model changes in secondary structure ... other CG FF can. You'll find them easily in the literature. Notably the ones from Deserno or Derreumaux. On Oct 10, 2012, at 2:03 PM, rama david wrote: Hi friends, I planed to use the martini force-field for my simulation study

Re: [gmx-users] Martini FF for Sec structure changes...

2012-10-10 Thread rama david
Thank you for your reply, Are these Cg can be used in Gromacs. Thank you in advance. With best wishes and regards, Rama david On Wed, Oct 10, 2012 at 6:13 PM, XAvier Periole x.peri...@rug.nl wrote: Martini FF cannot model changes in secondary structure ... other CG FF can. You'll find

Re: [gmx-users] Martini FF for Sec structure changes...

2012-10-10 Thread XAvier Periole
Nope, but on other softwares. On Oct 10, 2012, at 2:50 PM, rama david wrote: Thank you for your reply, Are these Cg can be used in Gromacs. Thank you in advance. With best wishes and regards, Rama david On Wed, Oct 10, 2012 at 6:13 PM, XAvier Periole x.peri...@rug.nl wrote: Martini

Re: [gmx-users] Martini FF for Sec structure changes...

2012-10-10 Thread rama david
Hi thank you Please told me the name of Freely available software on which these FF can be used .. Thank you in advance With best wishes and regards, Rama david On Wed, Oct 10, 2012 at 6:26 PM, XAvier Periole x.peri...@rug.nl wrote: Nope, but on other softwares. On Oct 10, 2012, at

Re: [gmx-users] Martini FF for Sec structure changes...

2012-10-10 Thread francesco oteri
Hi rama, actually MARTINI has been further improved to allow secondary structure change. The title is: *Improving Internal Peptide Dynamics in the Coarse-Grained MARTINI Model: Toward Large-Scale Simulations of Amyloid- and Elastin-like Peptides* and here there is a link to the paper:

Re: [gmx-users] Martini FF for Sec structure changes...

2012-10-10 Thread XAvier Periole
No, it does NOT! HAve you red the paper?! This implementation is an adoc representation to mimic specific sequences of short peptides! They do never for any secondary structure! On Oct 10, 2012, at 3:05 PM, francesco oteri wrote: Hi rama, actually MARTINI has been further improved to