[gmx-users] How the angle/bond length changes during simulation.

Dawid das addiw7 at googlemail.com
Wed Mar 9 16:14:21 CET 2016


O'right, I found my mistake.
Now it works fine.

Thank you!

2016-03-09 16:11 GMT+01:00 Justin Lemkul <jalemkul at vt.edu>:

>
>
> On 3/9/16 10:11 AM, Dawid das wrote:
>
>> 2016-03-09 16:07 GMT+01:00 Justin Lemkul <jalemkul at vt.edu>:
>>
>>
>>> You are.  That's what -all is for:
>>>
>>> "Plot all angles separately in the averages file, in the order of
>>> appearance in the index file."
>>>
>>> Open up angaver.xvg and you will see the average, then the two individual
>>> time series.
>>>
>>
>>
>>
>> Than something does not work for me, because what I get is:
>>        -180    0.027099
>>        -179    0.025099
>>        -178    0.023980
>>        -177    0.022160
>>        -176    0.019040
>>        -175    0.016480
>>        -174    0.016160
>>
>> and so on
>>
>>
> That must be angdist.xvg because that is a distribution, not a time series.
>
>
> -Justin
>
> --
> ==================================================
>
> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
>
> Department of Pharmaceutical Sciences
> School of Pharmacy
> Health Sciences Facility II, Room 629
> University of Maryland, Baltimore
> 20 Penn St.
> Baltimore, MD 21201
>
> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
> http://mackerell.umaryland.edu/~jalemkul
>
> ==================================================
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>


More information about the gromacs.org_gmx-users mailing list