[gmx-users] Fw: question

André Farias de Moura moura at ufscar.br
Tue Feb 2 00:44:00 CET 2016

(1) if nobody answered it is most likely because you have used a subject
way too generic. Why should I care about a message with the non-informative
subject "question"? Please mind that people answering questions here (as in
any other public discussion lists) do that for free using their spare time
(assuming they have any). So, instead of just forwarding again the same
message, try to make it more informative, beginning with the subject.

(2) pasting a link and saying that it does not work is also way too
generic. Should we guess what is going wrong with your research? Please
mind that it is your research, not ours, so you have to provide us as many
details as possible if proper answers are expected.

On Mon, Feb 1, 2016 at 9:00 PM, Mass <masstransfer_2010 at yahoo.com> wrote:

> Hi gmx usrs/team,
> I sent this last week and no one replied, I found the link below but this
> is not working. please help me.
> http://permalink.gmane.org/gmane.science.biology.gromacs.user/76001
> Greetings,Mass
>      On Thursday, January 28, 2016 11:28 AM, Mass <
> masstransfer_2010 at yahoo.com> wrote:
>  Good afternoon gmx user,
> I am interested to have entropy of a protein in bulk and adsorbed at an
> interface. here is what i am doing
> gmx covar -f traj.xtc -s md.tpr
> when asked I select protein two times
> 1) select " protein"
> 2) select " protein"
> then I do
> gmx anaeig  -f traj.xtc -s md.tpr -v eigenvec.trr -entropy
> But this gives me a value, I need to plot entropy as a function of time.
> which option in  gmx anaeig would give me entropy for the entire time of my
> simulation.
> Greetings
> Mass
> --
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Prof. Dr. André Farias de Moura
Department of Chemistry
Federal University of São Carlos
São Carlos - Brazil
phone: +55-16-3351-8090

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