[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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