[gmx-users] RE:problem with downloaded lipid bilayer

[Tsjerk Wassenaar]

Hi,

You should consider that distances in pdb files are in angstrom, whereas 
in Gromacs they are in nm.
So instead of using -box 61.760 61.760 66.608 you should use -box 6.1760 
6.1760 6.6608

Greetings,

Tsjerk

Carl-Johan Högberg wrote:

> Hi
>
> I tried this but i dosen´t seems work. In my -pdb file i have the 
> first three lines:
>
> -----
> HEADER    128 DMPC bilayer
> REMARK    THIS IS A SIMULATION BOX
> CRYST1   61.760   61.760   66.608  90.00  90.00  90.00 P 1           1
> -----
>
> So for editconf i use the following command:
>
> -----
> editconf -f dmpc_npat.pdb -o dmpc.gro -box 61.760 61.760 66.608
> -----



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