[gmx-users] "manual" on lipid bilayer simulation

paloureiro at biof.ufrj.br paloureiro at biof.ufrj.br
Wed Oct 5 17:06:27 CEST 2005

Hello Arturas,
> However I found that there is a lot of opinions. For example, I did
> not found solid criterias on choosing parameters like compresability,
> rlist, nstlist, rvdw, etc.
If you use berendsen pressure coupling then an "exact" compressibility value is 
not so important (check the manual). However, it is important if you are using 
the surface-tension option.
Regarding the other parameters, I suggest you to stick to a consistent 
forcefield (like the GROMOS96 45A3, the one I use for simulating lipids). In 
that case these options are more or less restricted.



More information about the gromacs.org_gmx-users mailing list