Membrane simulation

Dear Axel and Steve,

I want to simulate membrane by using LAMMPS. So I have used VMD
(Membrane Builder) to build PDB and PSF file by charmm27 topology then
used charrm2lammps tool to create Input and data files. But it was
produced incomplete files. I mean in the data file in section Pair
Coeffs there wasn't 6th row. data and input files were attached. would
you please help me.

Thanks a lot.
Farrokh (741 Bytes) (295 KB)

Maybe Paul can look at this if it is a
charmm2lmp issue.


Yes, it is odd that it would leave out the 6th row. Could you send your pdf and psf files? Thanks, Paul

Dear Paul

it is here. Thank you


membrane.psf (216 KB)

membrane.pdb (89.6 KB)

Seems to have worked fine for me. I'm attaching the LAMMPS input I generated (different from yours), perl script, and top/par files. You might have been using old or bad versions of some of these.

Paul (39.7 KB) (317 KB) (740 Bytes)

par_all27_prot_lipid_na.prm (256 KB)

top_all27_prot_lipid_na.rtf (435 KB)