Membrane simulation

LAMMPS LAMMPS Mailing List Mirror
1

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

membrane.in (741 Bytes)

membrane.data (295 KB)

2

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

Steve

3

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

4

Dear Paul

it is here. Thank you

Farrokh

membrane.psf (216 KB)

membrane.pdb (89.6 KB)

5

Seems to have worked fine for me. I'm attaching the LAMMPS input I generated (different from yours), charmm2lammps.pl perl script, and top/par files. You might have been using old or bad versions of some of these.

Paul

charmm2lammps.pl (39.7 KB)

membrane.data (317 KB)

membrane.in (740 Bytes)

par_all27_prot_lipid_na.prm (256 KB)

top_all27_prot_lipid_na.rtf (435 KB)