sday, September 8, 2016 10:27:43 PM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] high pressure and temperatures: force field parameters
Hi Sotirios,
I totally agree with what you said. However, I am not interested in
breaking bonds or forming bonds (e.g. in plasma case
om: gromacs.org_gmx-users-boun...@maillist.sys.kth.se <
> gromacs.org_gmx-users-boun...@maillist.sys.kth.se> on behalf of Smith,
> Micholas D. <smit...@ornl.gov>
> Sent: Thursday, September 08, 2016 3:44 PM
> To: Discussion list for GROMACS users
> Subject: [UNTRUSTED] Re: [gmx-users] high p
<smit...@ornl.gov>
Sent: Thursday, September 08, 2016 3:44 PM
To: Discussion list for GROMACS users
Subject: [UNTRUSTED] Re: [gmx-users] high pressure and temperatures: force
field parameters
Hi Sotririos,
I am not sure if anyone has ever done a detailed study of the extremes for each
rsday, September 8, 2016 2:47:07 AM
> To: Discussion list for GROMACS users
> Subject: [gmx-users] high pressure and temperatures: force field parameters
>
> Dear gromacs users,
>
> Force field parameters are not usually parametrized for high pressures and
> temperatures.
>
> sa
ROMACS users
Subject: [gmx-users] high pressure and temperatures: force field parameters
Dear gromacs users,
Force field parameters are not usually parametrized for high pressures and
temperatures.
say for P=500 bar! or for T=500 K
Although we can do simulations, but we cannot trust on
Dear gromacs users,
Force field parameters are not usually parametrized for high pressures and
temperatures.
say for P=500 bar! or for T=500 K
Although we can do simulations, but we cannot trust on the results.
Is there any maximum (or range ) defined somewhere in the literature (which
I am
