[gmx-users] μVT simulations and genbox

Michael Shirts mrshirts at gmail.com
Wed Feb 10 18:05:52 CET 2016

In theory, https://github.com/GromPy/GromPy can do it
(http://www.ncbi.nlm.nih.gov/pubmed/22370965), but it's old and I've
never tried it.  Not in the main code currently.

On Wed, Feb 10, 2016 at 11:38 AM, Irem Altan <irem.altan at duke.edu> wrote:
> Hi,
> I have two questions:
> - Is it possible to do μVT simulations?
> - When I copy vdwradii.dat to my working folder and modify it, does it affect the MD simulations? I used it to modify the number of water molecules genbox adds, and then ran an MD simulation without removing the vdwradii.dat file. Would that affect anything?
> Best,
> Irem
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