4.6.7 won't let me use SHAKE
with reaction field and pressure coupling, which is why I am now using LINCS.
Thanks,
Cara
> From: mark.j.abra...@gmail.com
> Date: Thu, 2 Jul 2015 10:42:23 +
> To: gmx-us...@gromacs.org
> Subject: Re: [gmx-users] LINCS warnings for a single
Hi,
While we can't exclude the possibility of a code bug, your analysis and
results suggest the problem lies elsewhere. Is the EG model stable if you
e.g. put one in a box of decane? It's a stab in the dark, but if EG was
parameterized only for aqueous-phase properties, then all bets are off once
Hi everyone,
I am trying to run a simulation of a lipid bilayer with a multi-component
solution. One of the components is ethylene glycol. Some of the components have
a tendency to wriggle their way into the lipids. When an EG molecule does this,
it tends to get uncomfortable and trigger some L
