I'd like to check it out too
On Wed, Oct 23, 2013 at 8:45 AM, Ehsan Sadeghi es...@sfu.ca wrote:
Hi Kevin,
It seems interesting. I would like to try it out. May I have an account?
Best regards,
Ehsan
- Original Message -
From: Kevin Chen fch6...@gmail.com
To: Discussion list
Hello GMX users, I just wanted to share a python library I made that may be
of help to someone. It includes a molecular viewer and native parsing of
xtc and edr files.
Go check it out! http://chemlab.github.com/chemlab
Thank you
--
gmx-users mailing listgmx-users@gromacs.org
Hi! Recently I've been simulating a system comprised of water and LiCl ions
in different arrangements. Depending on the arrangements I get different
responses in terms of performances. The box is tetragonal (but I heard from
other people in my lab that they had a performance hit also in cubic
Thank you! This is a very good suggestion.
On Mon, Mar 18, 2013 at 11:49 PM, Dr. Vitaly Chaban vvcha...@gmail.comwrote:
Hi!
I would like to simulate halkali halides in GROMACS by using the
Tosi-Fumi
potential.
The potential is of this kind (Born Mayer Huggins), with an exponential,
Hi!
I would like to simulate halkali halides in GROMACS by using the Tosi-Fumi
potential.
The potential is of this kind (Born Mayer Huggins), with an exponential, a
6th, 8th powers and the coulomb term:
U(r) = Ae^(-r/rho) - C/r^6 -D/r^8 + (q1 q2)/(4 pi eps r)
Did somebody used anything of
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