[gmx-users] syntax for gmx distance

[Justin Lemkul]

On 9/14/15 6:29 AM, Nash, Anthony wrote:
> Just downloaded the .tpr and .trr to my machine and tried exactly the same
> command:
> 
> gmx distance -n index.ndx -f umb_1_all.trr -s umb_1_umb.tpr -oh
> umb_1_distance_hist.xvg -oall umb_1_distance.xvg -select 'com of group
> "ZINC" plus com of group "CARBONYL"'
> 
> It spits out the same error:
> 
> Invalid command-line options
>      In command-line option -select
>        In keyword 'com'
>          required parameter 'of' not specified
>        invalid selection 'com'
>      In command-line option -select
>        syntax error
>        invalid selection 'group'
>      In command-line option -select
>        syntax error
>        invalid selection 'plus'
>      In command-line option -select
>        In keyword 'com'
>          required parameter 'of' not specified
>        invalid selection 'com'
>      In command-line option -select
>        syntax error
>        invalid selection 'group'
> 

I can't reproduce the problem with the latest development version; everything
works fine.  Can you try with version 5.1?  I'm assuming you're using 5.0.5
based on the naming of the script in the previous message.

-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

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