On 22/10/2010 8:21 AM, jagannath mondal wrote:
Hi,
I have used gromacs 4.0.7 to do MD simulation of two solutes A & B
in water ( solvent) .
Initially, I had set "energy groups = system " and used mdrun to do
the simulation.
Now,I wanted to get the potential energy contribution from due to
tin A. Lemkul //* wrote:
From: Justin A. Lemkul
Subject: Re: [gmx-users] problem with energy groups and mdrun -rerun
option
To: "Discussion list for GROMACS users"
Date: Friday, 22 October, 2010, 2:56 AM
jagannath mondal wrote:
> Hi,
> I have
:
From: Justin A. Lemkul
Subject: Re: [gmx-users] problem with energy groups and mdrun -rerun option
To: "Discussion list for GROMACS users"
Date: Friday, 22 October, 2010, 2:56 AM
jagannath mondal wrote:
> Hi,
> I have used gromacs 4.0.7 to do MD simulation of two solutes
jagannath mondal wrote:
Hi,
I have used gromacs 4.0.7 to do MD simulation of two solutes A & B
in water ( solvent) .
Initially, I had set "energy groups = system " and used mdrun to do the
simulation.
Now,I wanted to get the potential energy contribution from due to
interaction of A-
Hi, I have used gromacs 4.0.7 to do MD simulation of two solutes A & B in
water ( solvent) . Initially, I had set "energy groups = system " and used
mdrun to do the simulation.
Now,I wanted to get the potential energy contribution from due to interaction
of A-A, B-B,A-B A-solvent, B-solvent,
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