Thank you Justin, with your valuable input I got the solution.
regards
RajP
On Mon, Mar 25, 2019 at 11:44 PM Justin Lemkul wrote:
>
>
>
> On 3/25/19 2:22 PM, Rituraj Purohit wrote:
> > Thank you Mark for the reply. In my REMD results I would like to
> > observe
This is the same as for any other scientific experiment. You need to have
> thought about what you hope to learn and what you need to record in order
> to analyse the results. REMD is essentially no different here.
>
> Mark
>
> On Sun., 24 Mar. 2019, 10:51 Rituraj Purohit,
> wrote
Dear Friends,
I performed REMD by following tutorial provided by Mark Abraham, But I
am not able to get the analysis part. Is a step-wise tutorial
available ? I would be thankful to you if anyone of you could help me
to perform analysis of REMD output. Thanking you
Regards
RajP
--
Gromacs Users
Dear Friends,
I performed REMD by following tutorial provided by Mark Abraham, But I
am not able to get the analysis part. Is a step-wise tutorial
available ? I would be thankful to you if anyone of you could help me
to perform analysis of REMD output. Thanking you
Regards
RajP
--
Gromacs Users
Dear Friends,
I performed REMD by following tutorial provided by Mark Abraham, But I
am not able to get the analysis part. Is a step-wise tutorial
available ? I would be thankful to you if anyone of you could help me
to perform analysis of REMD output. Thanking you
Regards
RajP
--
Gromacs Users
Hi Friends,
How to get a "graph of potential as function of time" ?? Currently I am
using gmx potential script to generate potential.xvg but it is showing
potential as function of boxlength.
reg
Rituraj
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Gromacs Users mailing list
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Hi Everyone,
I would like to run g_hbons calculation on GPU boards. I could only find
--nthreads option to fasten my calculations, Is it possible to use GPU
boards for this like mdrun.
reg
Rraj
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