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 ma
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 ma
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 ma
RajP,
For future questions, if you don't get a response, then change the
question, add further details etc. Repeating the same question several
times doesn't improve your chances of getting a response.
Your question is very broad, general and lacks specifics, hence why no one
has responded. Show
Hi,
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 p
Thank you Mark for the reply. In my REMD results I would like to
observe the structure transition with temperature given variation (I
think it is most common observation). My query here is the output of
REMD, It does not give .xtc file but only .edr, .log and .gro
even-thou I indicated -x .xtc duri
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 the structure transition with temperature given variation (I
think it is most common observation). My query here is the output of
REMD, It does not give .xtc file but only .edr,
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 the structure transition with tempe
