[gmx-users] crash with LINCS WARNING

Hannes Loeffler h.loeffler at dl.ac.uk
Tue Apr 15 16:36:08 CEST 2008

On Mon, 2008-04-14 at 19:22 -0400, LeeHwan-kyu wrote:
> Dear GMX-uers,
> I'm simulating alpha-hemolysin channel in DMPC bilayer and water
> (using MARTINI protein FF), and my system keeps crashing with error
> below (even with very low timestep).

I suspect your problem is the MARTINI protein force field.  You need to
tell us more how you set up the .itp file.  Do you use dihedral terms
for extended sheets?  Replacing them with elastic bonds may help to
avoid problems with LINCS.  BTW, what is the very low timestep you
mentioned above?


More information about the gromacs.org_gmx-users mailing list