Hi Steve,
Try using -to gromos
The definitions are not (yet) explicitly set for each flavour of gromos.
Cheers,
Tsjerk
On Tue, Nov 26, 2013 at 6:01 PM, Steve wrote:
> Hi Tsjerk
> Thanks for you response. Yes, that is exactly what I was confused about.
> I am presently attempting to use "ini
Hi Tsjerk
Thanks for you response. Yes, that is exactly what I was confused about.
I am presently attempting to use "initram.sh". However, I keep getting the
following error :
Now executing...
./initram.sh -f confout.gro -p systemFG.top
Checking dependencies:
backward.py ... /home/stevesei/bin/
Yes you can use MARTINI with any GMX.
On Nov 22, 2013, at 8:16 PM, Steve Seibold wrote:
> Hello
> I was under the impression that I needed Gromacs 3.3.1 to implement the
> Martini FF. But as I have been looking at mdp files for Martini, I am finding
> statements about this mdp file to be use
Hi Steve,
I think you are slightly confused about the reverse transformation routine,
which was implemented only in Gromacs 3.3.1. Martini works well with
Gromacs 4.* and should work with the upcoming version 5 too. As a sidenote,
there's a new reverse transformation routine, which doesn't require
On Fri, Nov 22, 2013 at 2:16 PM, Steve Seibold wrote:
> Hello
> I was under the impression that I needed Gromacs 3.3.1 to implement the
> Martini FF. But as I have been looking at mdp files for Martini, I am
> finding statements about this mdp file to be used for Gromacs 4. I must be
> missunders
Hello
I was under the impression that I needed Gromacs 3.3.1 to implement the Martini
FF. But as I have been looking at mdp files for Martini, I am finding
statements about this mdp file to be used for Gromacs 4. I must be
missunderstanding something here...Can I use Gromacs 4.5.4 to run Martini
