Re: [gmx-users] μVT simulations and genbox

[Michael Shirts]

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  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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[gmx-users] μVT simulations and genbox

[Irem Altan]

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
-- 
Gromacs Users mailing list

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