Good evening sir,
Did you use this command?
g_energy -f em.edr -o em.xvg
When should I meet you sir, tomorrow?
With regards,
*Indu Kumari*
On Mon, Jan 21, 2019 at 12:23 PM Rituraj Purohit
wrote:
> Hi Friends,
> How to get a "graph of potential as function of time" ?
regards,
*Indu Kumari*
*Research Student,*
*Department of Environmental Science,*
*Central University of Himachal Pradesh,*
*Temporary Academic Block, Shahpur *
*Pin 176206, District Kangra,*
*Himachal Pradesh, India*
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)?*.
With regards,
*Indu Kumari*
*Research Student,*
*Department of Environmental Science,*
*Central University of Himachal Pradesh,*
*Temporary Academic Block, Shahpur *
*Pin 176206, District Kangra,*
*Himachal Pradesh, India*
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Gromacs Users mailing list
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http
Hello all,
Thank you for your response. Yes, GMXRC file is there. It is working now.
With regards,
*Indu Kumari*
*Research Student,*
*Department of Environmental Science,*
*Central University of Himachal Pradesh,*
*Temporary Academic Block, Shahpur *
*Pin 176206, District Kangra,*
*Himachal
error: command not found.
All the commands are there in the "build" directory, but they are not
recognised.
Please help.
With regards,
*Indu Kumari*
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Hello everyone,
I tried to do it for single (snapshot) .trr file, but the error is same,
SEGMENTATION FAULT. I am not able to figure out problem.
With regards,
Indu
On Tue, Dec 9, 2014 at 1:56 PM, Indu Kumari wrote:
>
> Thank you.
>
>
> With regards,
> Indu
>
> On Tue,
kindly check the CPU usage
> and do the needful. Core dumped usually fired with memory inadequacy.
>
> --
> *BIKASH RANJAN SAHOO *
>
> *Osaka Univ. Japan*
>
> On Tue, Dec 9, 2014 at 4:16 PM, Indu Kumari
> wrote:
Hello everyone,
I am trying to calculate free energy of protein ligand complex by using
MM_PBSA method. While calculating polar solvation energy of the complex, I
am getting this error.
* Segmentation fault (core dumped).*
*Please help!*
With regards,
Indu
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Gd morning,
Check the dt of em.mdp file and vary it accordingly.
With regards,
Indu
On Mon, Nov 10, 2014 at 10:46 AM, md kashif
wrote:
> Dear all
> I am new user and stuck with the energy minimization conflict.
> I am following the gromacs tutorial (
>
> http://www.bevanlab.biochem.vt.edu/Page
Good afternoon,
No, if your system is showing some charge then it gives a note not an
error. So the reason is something else, check your .mdp file.
With regards,
Indu
On Fri, Sep 5, 2014 at 11:14 AM, Lovika Moudgil
wrote:
> Hi Everyone , I want to ask one question , that my system have non-ze
Thank you Justin.
With regards,
Indu
On Tue, Aug 12, 2014 at 5:08 PM, Justin Lemkul wrote:
>
>
> On 8/12/14, 4:58 AM, Indu Kumari wrote:
>
>> Grompp terminated and shows following warning and notes:
>> NOTE 1 [file topol.top, line 57]:
>>System has no
Grompp terminated and shows following warning and notes:
NOTE 1 [file topol.top, line 57]:
System has non-zero total charge: -0.675997
Total charge should normally be an integer. See
http://www.gromacs.org/Documentation/Floating_Point_Arithmetic
for discussion on how close it should be to a
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