On 9/29/12 12:55 PM, Ali Alizadeh wrote:
Dear All users
I have a system with 3 layers,
when i run grompp program, encounter with this error.
First and 3th layer is the same, and middle layer is water. what's
this error about?
grompp is looking for some group called 1 (the number one) but it
Please use an informative subject.
ITHAYARAJA wrote:
Dear Sir,
when i am doing energy minimization (grompp), i found following error
CMD : grompp -f em.mdp -c proteinGR_b4ion.gro -p proteinGR.top -o
proteinGR_b4ion.tpr
WARNING 1 [file em.mdp, line unknown]:
Unknown or double left-hand
Tue, July 13, 2010 11:46:58 AM
grompp errors...
From: Amanda Watkins mhstrumpetg...@yahoo.com ...View Contact
To: gmx-users@gromacs.org
Dear GROMACS users,
I am trying to simulate a protein (OmpA) and a detergent (DPC) together in
GROMACS. I have
Amanda Watkins wrote:
Tue, July 13, 2010 11:46:58 AM
grompp errors
...
From:
Amanda Watkins mhstrumpetg...@yahoo.com [Chat now]
...
View Contact
To: gmx-users@gromacs.org
Dear GROMACS users,
I am trying to
On 7/13/10 6:11 PM, Amanda Watkins wrote:
Tue, July 13, 2010 11:46:58 AM
grompp errors
...
From:
Amanda Watkins mhstrumpetg...@yahoo.com [Chat now]
...
View Contact
To: gmx-users@gromacs.org
Dear GROMACS users,
No.
Even though you give the grompp output, you haven't told what you
tried to do, which force field you're using and what you did to come
to this stage. We can't guess what's in you're topology file. You also
clearly haven't searched the archive for posts on No default ...
types, and thus give
i have a problem with gromp
someone can elp me? thanks..
error_grompp
Description: Binary data
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Hi all!.
I was trying to simulate a complex cation in MeCN solution and I got 2
strange warnings to me:
processing topology...
WARNING 1 [file ff_emi.itp, line 7]:
Overriding atomtype CT
WARNING 2 [file ff_emi.itp, line 11]:
Overriding atomtype H1
But I did found that strange because, as you
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