subject:"\[gmx\-users\] creating a solvent box"

RE: [gmx-users] creating a solvent box

2010-09-20 Thread Dallas Warren

: Tuesday, 21 September 2010 10:17 AM To: gmx-users@gromacs.org Subject: [gmx-users] creating a solvent box This may very well be a simple problem, but I have found little in the way of documentation that helped me get it to work: I'd like to form a box (4x6x4 nm^3) filled with 3200 water mole

Re: [gmx-users] creating a solvent box

2010-09-20 Thread Justin A. Lemkul

Eric Shamay wrote: This may very well be a simple problem, but I have found little in the way of documentation that helped me get it to work: I'd like to form a box (4x6x4 nm^3) filled with 3200 water molecules. I'd like to use the water model specified in sw.itp (polarizable & flexible). I

[gmx-users] creating a solvent box

2010-09-20 Thread Eric Shamay

This may very well be a simple problem, but I have found little in the way of documentation that helped me get it to work: I'd like to form a box (4x6x4 nm^3) filled with 3200 water molecules. I'd like to use the water model specified in sw.itp (polarizable & flexible). In the working directory I