[gmx-users] query regarding g_ras command

Justin A. Lemkul jalemkul at vt.edu
Tue Jun 21 15:50:45 CEST 2011



rashi parihar wrote:
> thanx justin..my problem is that i do not know exactly the syntax of 
> command.i get to know about this command through this community only.i.e 
> why i want the full  command?
> 

Please read the contents of the manual about g_sas and/or g_sas -h for a full 
list of options (like you can do for all Gromacs programs).  You said you were 
getting an error - is that true?  If you have an error message, post it and 
likely someone will know how to fix it.  If you simply don't know how to run a 
command, then say so, but the solution is always going to be the -h option.

-Justin

> On Tue, Jun 21, 2011 at 6:53 PM, Justin A. Lemkul <jalemkul at vt.edu 
> <mailto:jalemkul at vt.edu>> wrote:
> 
> 
> 
>     rashi parihar wrote:
> 
>         I want to obtain solvent accessible surface area using g_sas
>         command:
> 
> 
>         g_sas -f *.xtc -s *.tpr -n *.ndx -o -or -oa.plz tell me the full
>         command as i am getting error while running this command.thanx
>         in advance!!
> 
> 
> 
>     To get an answer you need to provide an actual command and the
>     actual error message.  There's nothing informative here.
> 
>     -Justin
> 
>         how I will obtain three output files containing: area.xvg,
>         resarea.xvg and atomarea.xvg
> 
> 
> 
>         -- 
>          images[12]
>          “Many Smiles Begin Because Of Another Smile . . . ."
>          Regards,
>         Rashi
> 
> 
>     -- 
>     ==============================__==========
> 
>     Justin A. Lemkul
>     Ph.D. Candidate
>     ICTAS Doctoral Scholar
>     MILES-IGERT Trainee
>     Department of Biochemistry
>     Virginia Tech
>     Blacksburg, VA
>     jalemkul[at]vt.edu <http://vt.edu> | (540) 231-9080
>     http://www.bevanlab.biochem.__vt.edu/Pages/Personal/justin
>     <http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin>
> 
>     ==============================__==========
>     -- 
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> 
> 
> -- 
>  
> images[12]
>  
> “Many Smiles Begin Because Of Another Smile . . . ."
>  
> Regards,
> Rashi
> 

-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================



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