Re: [gmx-users] Constant Density

2016-04-26 Thread Smith, Micholas D.
asi-equilibrium) There may be other ways to do this as well. -Micholas From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se on behalf of Nash, Anthony Sent: Tuesday, April 26, 2016 9:29 AM To: gmx-us...@gromacs.org Subject: [gmx-users] Constant Densi

[gmx-users] Constant Density

2016-04-26 Thread Nash, Anthony
Hi all, At the risk of bending the rules of thermodynamics, I¹m wondering whether Gromacs can maintain density of a water box (0.750 g/L density of water in a collagen fibril environment) whilst applying an NPT ensemble? gmx_d solvate, fills up to 2/3 of my truncated oct cell, with my protein at