Dear all,
I have sent this e-mail to the gmx-users mailing list for a few days, but
without any reply until now. I'm not sure if it has something to do with the
format, because the link can’t be opened when I search the mailing list. So
this time I use the plain text and send it once more, wou
Dear Gromacs users,
May I ask you to help me about use of walls in martini coarse-grained, please?
I defined two walls for my system as following:
pbc = xy
nwall = 2
wall_type = 12_6
wall_r_linpot = 1
wall_atomtype = W W
I sel
Dear Prof.
I want to use walls (in z=0 and z=z_box) for my simulation with martini
coarse-grained force field, but always it give me error!
Do the martini force field support walls? Should I use just 12-6 for wall_type?
May I ask your help about this, Please?
Best regards
Sara--
gmx-users mai
Date: Wed, 22 Oct 2008 05:55:16 +0800
From: [EMAIL PROTECTED]
To: gmx-users@gromacs.org
Subject: [gmx-users] Walls & user defined potential
Hi gmx-users and developers,
I met a strange error when using wall function combined with user defined
potential. Following is a part of the
Hi gmx-users and developers,
I met a strange error when using wall function combined with user defined
potential. Following is a part of the mdp:
vdw-type = user
energygrps = Surf SOL
; WALLS
ECTED]>
Reply-To: Discussion list for GROMACS users
To: gmx-users@gromacs.org
Subject: [gmx-users] Walls & table-based potentials
Date: Fri, 1 Jun 2007 11:35:10 -0500
Hello everyone,
I am trying to use the new walls feature in the CVS version of
gromacs. My system is a simple box of SPC w
Hello everyone,
I am trying to use the new walls feature in the CVS version of
gromacs. My system is a simple box of SPC water. When using
wall_type: 9-3
or
wall_type: 10-4
with appropriate atomtype and density parameters, I have no problems,
and the runs proceed normally.
However, when I try
7 matches
Mail list logo