[gmx-users] g_sdf : error

[Dallas B. Warren]

Can you copy and paste into here what you see between:

"Select a reference group and 1 group"

And

"Select a group:"

When you run the script.

Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at pharm.monash.edu.au
+61 3 9903 9167
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble
a nail. 


> -----Original Message-----
> From: gmx-users-bounces at gromacs.org [mailto:gmx-users-
> bounces at gromacs.org] On Behalf Of Nilesh Dhumal
> Sent: Tuesday, 18 May 2010 9:29 AM
> To: Discussion list for GROMACS users
> Subject: RE: [gmx-users] g_sdf : error
> 
> hey
> Sorry for typing mistake.
>  I used ths command.
> g_sdf -f 3.trr -n glu-emi-cl-128-no.ndx -s 3.tpr -mode 1 -o sdf.plt -r
> 
> Nilesh
> 
> On Mon, May 17, 2010 6:37 pm, Dallas B. Warren wrote:
> >> g_sdf -f 3.trr -n glu-emi-cl-128-no.ndx -s -mode 1 3.tpr -o sdf.plt
> -r
> >
> > Is that the exact command line you used?  If so, doubt it would
> actually
> > work, since it should be:
> >
> > g_sdf -f 3.trr -n glu-emi-cl-128-no.ndx -s 3.tpr -mode 1 -o sdf.plt
-
> r
> >
> > Catch ya,
> >
> >
> > Dr. Dallas Warren
> > Drug Delivery, Disposition and Dynamics
> > Monash Institute of Pharmaceutical Sciences, Monash University
> > 381 Royal Parade, Parkville VIC 3010
> > dallas.warren at pharm.monash.edu.au +61 3 9903 9167
> > ---------------------------------
> > When the only tool you own is a hammer, every problem begins to
> resemble
> > a nail.
> >
> >> -----Original Message-----
> >> From: gmx-users-bounces at gromacs.org [mailto:gmx-users-
> >> bounces at gromacs.org] On Behalf Of Nilesh Dhumal Sent: Tuesday, 18
> May
> >> 2010 5:55 AM
> >> To: gmx-users at gromacs.org
> >> Subject: [gmx-users] g_sdf : error
> >>
> >>
> >> Hello,
> >> I am trying to run g_sdf for sovlation for glucose in ionic
liquids.
> >> I am trying to find distribution of anion around glucose.
> >>
> >>
> >>
> >> g_sdf -f 3.trr -n glu-emi-cl-128-no.ndx -s -mode 1 3.tpr -o sdf.plt
> -r
> >>
> >> First three group I selected from the same residue (Glucose). Forth
> >> grouup I selected from as anion (Anion residue ). I am geting
> following
> >>
> > error.
> >>
> >> Fatal error:
> >> For single particle SDF, all reference groupsmust have the same
> size.
> >>
> >>
> >> Thanks
> >>
> >>
> >> Nilesh
> >>
> >>
> >>
> >>
> >>
> >>
> >>
> >>
> >>
> >>
> >> --
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> 
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