Dear Dr. Lemkul thank you very much for your answer.
I will look on the literature.
El lun., 13 de abr. de 2020 a la(s) 12:55, Justin Lemkul (jalem...@vt.edu)
escribió:
>
>
> On 4/13/20 10:37 AM, lazaro monteserin wrote:
> > Dear Gromacs users
> >
> > I have three questions about the details of
On 4/13/20 10:37 AM, lazaro monteserin wrote:
Dear Gromacs users
I have three questions about the details of running MD of small molecules
in gromacs:
1) If I run a MD in vacuum if I freeze part of the nucleoside (lets say the
carbons in the sugar) with genrestr, should I use temperature cou
Dear Gromacs users
I have three questions about the details of running MD of small molecules
in gromacs:
1) If I run a MD in vacuum if I freeze part of the nucleoside (lets say the
carbons in the sugar) with genrestr, should I use temperature coupling
groups?
2) Now, if I freeze in the nucleosid
