[gmx-users] Re: Attention:urgent

Mark Abraham Mark.Abraham at anu.edu.au
Thu Jul 26 13:33:53 CEST 2012

On 26/07/2012 9:21 PM, Arunima Kumar wrote:
> Dear Sir
> I am Arunima Kumar Verma......a researcher from India. I found your 
> email id from mailing list mentioned in GROMACS.

Then you will have seen there the frequent requests from people not to 
make personal requests for help on general GROMACS topics.

> I need your urgent help. Actually i have been striving hard to solve 
> the problems i am facing in molecular dynamics simulation of my protein.

Your need is urgent to me when you're paying me ;-)

> Being from pure biological sciences background and qulaified 
> CSIR-NET...........i am more acquainted with life sciences. Though i 
> have done my PG in bioinformatic yet i have problems 
> in computational aspects. Sir, presently i have put my protein 
> molecule to simulation by GROMACS and facing problems while 
> running grompp or mdrun commands. I earnestly request if you can help 
> in creating  SGE script for the same. I would be highly obliged sir. 
> Plz help

You should start by doing all the tutorial material you can find with 
Google, even if you don't think the tutorial topic is particularly 
relevant, and reading as widely as possible, particularly including the 


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