dear Rob,
you can manually edit one of the gro file to increase the length in one
direction by an arbitrary amount, then use genbox:
genbox -cp -cs
(I just did that with water and methanol from the gromacs tutorials,
works just fine)
maybe set -vdwd to an adequate value to prevent insertion o
Use the same box size for both. Then move one box with eidtconf
-translate by its boxlength. Afterwards, you can simply put the boxes
together to one large one.
Quoting tekle...@ualberta.ca:
Dear Gromacs,
I want to combine two separately equilibrated solvents into one mixed
solvent file.
- Original Message -
From: tekle...@ualberta.ca
Date: Tuesday, August 10, 2010 13:50
Subject: [gmx-users] Mix two solvents
To: gmx-users@gromacs.org
> Dear Gromacs,
>
> I want to combine two separately equilibrated solvents into one
> mixed solvent file. How can I do tha
Dear Gromacs,
I want to combine two separately equilibrated solvents into one mixed
solvent file. How can I do that? I want to check the mixing effect of
those solvents and try to check the density and volume change before
and after mixing those solvents. I have equilibrated and run MD for
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