st.sys.kth.se [
> gromacs.org_gmx-users-boun...@maillist.sys.kth.se] on behalf of Justin
> Lemkul [jalem...@vt.edu]
> Sent: 14 June 2017 21:57
> To: gmx-us...@gromacs.org
> Subject: Re: [gmx-users] In vacuo MD
>
> On 6/14/17 4:36 AM, Linus Johannissen wrote:
> > I'
_
From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se
[gromacs.org_gmx-users-boun...@maillist.sys.kth.se] on behalf of Justin Lemkul
[jalem...@vt.edu]
Sent: 14 June 2017 21:57
To: gmx-us...@gromacs.org
Subject: Re: [gmx-users] In vacuo MD
On 6/14/17 4:36 AM, Linus Johannissen wrote:
> I'm t
On 6/14/17 4:36 AM, Linus Johannissen wrote:
I'm trying to run an in vacuo MD simulation using infinite non-bonding cutoffs,
but Gromacs doesn't seem to be calculating the non-bonding interactions - the
protein unfolds very rapidly and in the log file the LJ (SR) and Coulomb (SR)
values are
I'm trying to run an in vacuo MD simulation using infinite non-bonding cutoffs,
but Gromacs doesn't seem to be calculating the non-bonding interactions - the
protein unfolds very rapidly and in the log file the LJ (SR) and Coulomb (SR)
values are 0. Does it look like there's something wrong with
