To: gmx-us...@gromacs.org
Subject: Re: [gmx-users] com motion and position restraints may cause artifacts
The ambiguity in the gromacs 2020 note made me concerned, as it was
not clear to me whether my system (DNA+small molecule) fills in the
category where artifacts are caused. The gromacs note
To: gmx-us...@gromacs.org
Subject: Re: [gmx-users] com motion and position restraints may cause artifacts
The ambiguity in the gromacs 2020 note made me concerned, as it was
not clear to me whether my system (DNA+small molecule) fills in the
category where artifacts are caused. The gromacs note could have
The ambiguity in the gromacs 2020 note made me concerned, as it was
not clear to me whether my system (DNA+small molecule) fills in the
category where artifacts are caused. The gromacs note could have been
a bit more helpful by referencing specific publications so that we can
educate
On 1/16/20 5:17 AM, Alessandra Villa wrote:
Hi,
On Mon, Jan 13, 2020 at 3:36 PM Christos Deligkaris
wrote:
dear all,
I installed gromacs 2020 and I now get the following message during
equilibration:
NOTE 1 [file nvt.mdp]:
Removing center of mass motion in the presence of position
Hi,
On Mon, Jan 13, 2020 at 3:36 PM Christos Deligkaris
wrote:
> dear all,
>
> I installed gromacs 2020 and I now get the following message during
> equilibration:
>
> NOTE 1 [file nvt.mdp]:
>
> Removing center of mass motion in the presence of position
> restraints might cause artifacts
>
>
dear all,
I installed gromacs 2020 and I now get the following message during
equilibration:
NOTE 1 [file nvt.mdp]:
Removing center of mass motion in the presence of position
restraints might cause artifacts
I do not recall seeing this with gromacs 2018. In which cases are
artifacts
