Dear Users,
I want calculate the static structure factor of water in GROMACS-5.0.7.
Which module shall I use for that?
In gmx rdf there is an output option "-hq". What is the meaning of this
output?
Any help is highly appreciated.
Regards,
Saumyak
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On 10/17/18 6:25 PM, Mahdi Sobati Nezhad wrote:
thanks Justin for your helps.
the pdb2gmx make posre_chain_A.itp but don't write any thing about it in my
topol.top!!!
Can I add it in my topol.top file?! And what's its template for it?!
If pdb2gmx completed successfully, it's there. Check
Hello.
For my MD I need a GTP residue. So I made it by modifying ATP residue in
gromos 54A7 force field by guanosine base.
First time I save it in GTP.rtp and my energy minimisation steps was 30,000
steps because of one atom in GTP.
In next try I add GTP residue in aminoaciduria.rtp which contains
thanks Justin for your helps.
the pdb2gmx make posre_chain_A.itp but don't write any thing about it in my
topol.top!!!
Can I add it in my topol.top file?! And what's its template for it?!
On Fri, 5 Oct 2018 17:08 Justin Lemkul, wrote:
>
>
> On 10/4/18 6:53 PM, Mahdi Sobati Nezhad wrote:
> >
Thanks rose for your help.
so for ligand and protein interaction its better that I use position
restraints
On Wed, 10 Oct 2018 17:07 rose rahmani, wrote:
> First, i think it's better to ask WHY
> http://www.gromacs.org/Documentation/How-tos/Position_Restraints
> That's why people use position
Hello,
could you open an issue on redmine.gromacs.org to describe the problem,
with the commands you used and if possible some example files (not full
length trajectories, but the minimal file that causes the crash).
The same goes for the gmx helix issue you ran into.
Cheers
Paul
On
Den 2018-10-16 kl. 11:14, skrev Budheswar Dehury:
Dear All,
Hello. I am doing analysis soem analysis of TM helix properties using the GMX
helix tool of GROMACS 2018.2. Though, in someways its working in the old
version 2016.2 but its not working in the latest 2018.2 version. I have
appended
