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

Hector Mtz-Seara h.seara at qf.ub.es
Thu Oct 6 11:54:37 CEST 2005

Dear Pedro,

Can be possible of getting one parameter (*.gro, *.itp) file of the 
lipids you are using to see what it looks like as well as  dynamic mpd 
file you use in the NPT simulation, becase im using GROMACS force field 
and I would like to change to the new gro96 one.

Thanks in advance HECTOR

University of Barcelona
Chemical-Physics department

paloureiro at biof.ufrj.br wrote:

>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.
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