Hi everyone,
I am very new to Lammps. I am interested in running some membrane simulations using Martini CG force-field. My lipid membrane will include PIP2 ( a constituent of the bilayer and contains a 6 member ring). I have gone through a question which suggest that there are problems when ring structures are needed to be implemented. Is it really the case ? Also, is there any tutorial available for martini usage with Lammps ?
Thank you,
Vikas
Hi everyone,
I am very new to Lammps. I am interested in running some membrane
simulations using Martini CG force-field. My lipid membrane will include
PIP2 ( a constituent of the bilayer and contains a 6 member ring). I have
gone through a question which suggest that there are problems when ring
structures are needed to be implemented. Is it really the case ? Also, is
there any tutorial available for martini usage with Lammps ?
people doing simulations with martini tend to use gromacs not LAMMPS.
in general, there is nothing special about the (generic) martini force
field that makes it different from other atomic/CG force fields
supported by LAMMPS that would require a specific tutorial. as with
other force fields in LAMMPS, part of setting up your geometry, typing
atoms, building the topology has to be done with external tools. then
you need to convert that information correctly to a LAMMPS data file
(watch out for differences in units!!) after identifying the necessary
functional forms.
what to study depends on your level of experience with MD in general.
how much do you know about MD at all?
your statement about 6-membered rings is *extremely* vague. can you be
a bit more specific, show what kind of question you are referring to,
and explain how this would apply in your case?
axel.