[gmx-users] g_sdf : error

[Dallas B. Warren]

> 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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