On 2011-05-25 08:00:32AM -0500, Justin A. Lemkul wrote: > > > Du Jiangfeng (BIOCH) wrote: > > Dear Gromacs Users, > > There are easy to get membrane with 64 DPPC or 128 DPPC for all atoms > > simulation or coarse grained simulation, but is it possible to get a > > membrane with 512 lipids? If so, where? > > If you have a 128-lipid membrane: > > genconf -f 128.gro -o 512.gro -nbox 2 2 1
Wasn't there a warning about PBC and compact structures when using the PDBs from Peter Tieleman? Aren't we supposed to unwrap those structures with trjconv before actually using them in any sort of meaningful way? See also http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/membrane_protein/03_solvate.html on generating a dummy tpr for feeding into trjconv. -- ================================================================== Peter C. Lai | University of Alabama-Birmingham Programmer/Analyst | BEC 257 Genetics, Div. of Research | 1150 10th Avenue South [email protected] | Birmingham AL 35294-4461 (205) 690-0808 | ================================================================== -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
