[gmx-users] gmx distance

Alex nedomacho at gmail.com
Tue Aug 4 02:57:22 CEST 2015


Ah. Well, than. :)
Thanks!

On Mon, Aug 3, 2015 at 5:08 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 8/3/15 7:06 PM, Alex wrote:
>
>> I fixed it by explicitly selecting group COMs using the syntax from here:
>> http://www.gromacs.org/Documentation/How-tos/Tool_Changes_for_5.0
>> The utility manual page destroyed my brain, to be honest. Something
>> clearer
>> than
>>
>> "*-select* <selection>
>> Position pairs to calculate distances for"
>>
>> is needed. I'm sorry, but it is.
>>
>>
> And it's present with:
>
> gmx help selections
>
> and any of the relevant subtopics, including:
>
> gmx help selections examples
>
> There's indeed a lot to go through, but it's nothing if not comprehensive.
>
> -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