Hi, Everybody,
And I found that if this simulation is on gromacs3.3, the warning becomes
error.
Yours
Sincerely,
WU Yanbin
Message: 7
Date: Wed, 13 Jun 2007 21:35:42 -0500
From: "WU Yanbin" <[EMAIL PROTECTED]>
Subject: [gmx-users] Warning when using both LJ and Buckingham
non-bonded interaction
To: gmx-users@gromacs.org
Message-ID:
<[EMAIL PROTECTED]>
Content-Type: text/plain; charset="iso-8859-1"
Hi,
When I use both LJ and Buckingham non-bonded interaction in my topology
file, specially like the following:
--------------------------------
[ nonbond_params ]
; i j func c6 c12
OW OW 1 ...
; i j func a b c6
C C 2 ...
--------------------------------
When I run grompp using this topology file, I got such message:
--------------------------------
WARNING 2 [file "topol.top", line 26]:
Trying to add BuckingHam while the default nonbond type is LJ (SR)
--------------------------------
Then is this topology OK? or I need other modifications?
Thanks in advance.
Yours
Sincerely,
WU
Yanbin
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