- Original Message -
From: 张春雷
Date: Friday, June 25, 2010 18:06
Subject: Re: [gmx-users] Optimizing system size by moving from rectangular to
hexagonal cells
To: Discussion list for GROMACS users
> I think you may try "trjconv -ur".
I don't think that can work, be
I think you may try "trjconv -ur".
2010/6/25 Marc Baaden
>
> Dear All,
>
> Trying to optimize some simulation systems, I noticed that I could
> actually gain quite some degrees of freedom by changing the xy
> dimension of my simulation system from square/rectangular to hexagonal.
> I wonder how
Dear All,
Trying to optimize some simulation systems, I noticed that I could
actually gain quite some degrees of freedom by changing the xy
dimension of my simulation system from square/rectangular to hexagonal.
I wonder how one would do that in order to preserve at best the
properties of an a
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