You do not state your original density. But lets say you need to reduce volume 3% to get your correct density. Use: ediftconf -f solv_large.gro -o solv_large_scaled.gro -scale 1 1 0.97
Just do a quick side calculation for what you need and substitute in for 0.97. Dan > On Aug 9, 2015, at 4:18 AM, James Lord <[email protected]> wrote: > > Hi all, > I have a solvent filled in a box of dimensions 12 12 12 (solv_large.gro). > I want to adjust the density of system to 824 kg/m3. But I want editconf to > just change the volume only by changing the z direction ? is that possible? > I did > ediftconf -f solv_large.gro -o solv_large_scaled.gro -density 824 > > But it changes the x,y,z to adjust the density. Is it possible to ask > editconf to do this only by changing for example z? > Cheers > James > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a > mail to [email protected]. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to [email protected].
