[gmx-users] united atoms membranes & timestep
J Simms
JXS818 at bham.ac.uk
Tue Jan 7 16:37:19 CET 2003
Hi All,
Hope everyone had a Good New Year. Just a quick question, I
just wondered how high a timestep I can get away with using a
united atom lipid forcefield?? Does anyone have any experience
with this. The reason I want to find out, is that I have got a
membrane protein that I want to use dummy atoms & heavy
hydrogens with so that I can increase the timestep as with Antons
papers. Can I increase the timestep and keep a well defined
membrane or do I have to add the bilayer to the .rtp file and get
pdb2gmx to deal with it.
Thanks in advance for any help.;-)
John ;-)
More information about the gromacs.org_gmx-users
mailing list