[gmx-users] editconf -density

James Lord jjamesgreen110 at gmail.com
Sun Aug 9 10:18:23 CEST 2015


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


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