07/09/2015 11:57 AM (GMT+05:45)
> To: Discussion list for GROMACS users <gmx-us...@gromacs.org>,Rabindra
> Raj Oliya <oliyarabin...@gmail.com>
> Subject: Re: [gmx-users] Extracting Trajectory and False Simulation
>
> Hi Rabindra,
>
> You can do an mdrun -r
15 11:57 AM (GMT+05:45)
To: Discussion list for GROMACS users <gmx-us...@gromacs.org>,Rabindra Raj
Oliya <oliyarabin...@gmail.com>
Subject: Re: [gmx-users] Extracting Trajectory and False Simulation
Hi Rabindra,
You can do an mdrun -rerun with the original trajectory and the alt
e: 07/09/2015 7:43 AM (GMT+05:45)
> To: gmx-us...@gromacs.org
> Subject: Re: [gmx-users] Extracting Trajectory and False Simulation
>
>
>
> On 9/6/15 9:54 PM, Rabindra Oliya wrote:
> > Dear sir,
> > I have to extract the configuration stored into the trajectory file
: Justin Lemkul <jalem...@vt.edu>
Date: 07/09/2015 7:43 AM (GMT+05:45)
To: gmx-us...@gromacs.org
Subject: Re: [gmx-users] Extracting Trajectory and False Simulation
On 9/6/15 9:54 PM, Rabindra Oliya wrote:
> Dear sir,
> I have to extract the configuration stored into the tra
On 9/6/15 9:54 PM, Rabindra Oliya wrote:
Dear sir,
I have to extract the configuration stored into the trajectory file and
carry out the false simulation (in which we set up just one MD step and a
0.0 time step) using the topology file. How can be this done?
Why bother? A single step in
Dear sir,
I have to extract the configuration stored into the trajectory file and
carry out the false simulation (in which we set up just one MD step and a
0.0 time step) using the topology file. How can be this done?
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