[gmx-users] g_sdf : error

[Nilesh Dhumal]

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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