Thanks for your answer. Actually, it was the force field paper which I was
considering, printed this wrong. Now the problem is sorted.
Thanks again.
On Sun, 28 Jul 2019 at 08:37, KRISHNA PRASAD GHANTA
wrote:
> See ligpargen online server to find out opls file format. Here you have to
> draw
Yes I hope so. Add your tip5p water model in gromos format in gromos-xx.ff
file and include in topology file.
On Fri, Jul 26, 2019, 16:34 wrote:
> Is it possible to use tip5p water model with gromos force field?
>
>
>
> Thanks
>
> --
> Gromacs Users mailing list
>
> * Please search the archive
See ligpargen online server to find out opls file format. Here you have to
draw your require structure then generate smile sequence set charge and
select optimization level it will generate corresponding ff in opls format.
Finally you have to change sigma and epsilon and bonded parameters you will
You can increase temperature by simulated annealing. See gromacs mdp option
On Fri, Jul 26, 2019, 17:07 Pratiti Bhadra wrote:
> Dear User,
>
> I am trying simulated tampering with Gromacs 2018.1
>
> mdp setting with
>
>
> nstexpanded = 100
> simulated-tempering = yes
> sim-temp-low = 300
>
