ent: Monday, February 4, 2013 11:37 PM
Subject: Re: [gmx-users] system far from the equilibration state
On 2/4/13 2:04 PM, Shima Arasteh wrote:
Hi,
I am simulating a system of peptide/membrane/water. If my system is far from
the equilibration, would that be correct if I use Berendsen pressure c
users
Sent: Monday, February 4, 2013 11:37 PM
Subject: Re: [gmx-users] system far from the equilibration state
On 2/4/13 2:04 PM, Shima Arasteh wrote:
> Hi,
>
> I am simulating a system of peptide/membrane/water. If my system is far from
> the equilibration, would that be corr
On 2/4/13 2:04 PM, Shima Arasteh wrote:
Hi,
I am simulating a system of peptide/membrane/water. If my system is far from
the equilibration, would that be correct if I use Berendsen pressure coupling
for nano seconds to do NPT equilibration and then change it to
Parrinello-Rahman to get the
Hi,
I am simulating a system of peptide/membrane/water. If my system is far from
the equilibration, would that be correct if I use Berendsen pressure coupling
for nano seconds to do NPT equilibration and then change it to
Parrinello-Rahman to get the true pressure? Anybody may suggest me please
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