1 0 0
OW O 1 0.0024331696 1.83399e-06
Thanks
Osmair
Date: Sun, 19 Apr 2009 14:47:24 +0300
Subject: Re: [gmx-users] Combining LJ and buckingham potential
From: omer...@gmail.com
To: gmx-users@gromacs.org
Hello Osmair,
Perhaps you can try using the
Hello Osmair,
Perhaps you can try using the "[ nonbond_params ]" & "[ pairs ]" sections of
the TOP file?
How did you define these interactions in your TOP file?
--Omer.
Koby Levy research group,
Weizmann Institute of Science.
http://www.weizmann.ac.il/sb/faculty_pages/Levy/
On Fri, Apr 17, 2009
Hi,
I have tried to simulate a crystal in water solvent, however I
found the error:
ERROR 0 [file "new-topol3.top", line 19]:
Trying to add LJ (SR) while the default nonbond type is Buck.ham (SR)
So, my question: How can I use or define LJ potential (for water) and
buckingham potential (for a
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