[gmx-users] "manual" on lipid bilayer simulation
h.seara at qf.ub.es
Thu Oct 6 11:54:37 CEST 2005
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
paloureiro at biof.ufrj.br wrote:
>>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.
>gmx-users mailing list
>gmx-users at gromacs.org
>Please don't post (un)subscribe requests to the list. Use the
>www interface or send it to gmx-users-request at gromacs.org.
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users