[gmx-users] Re: Attention:urgent

[R.S.K.Vijayan]

Plz be very specific about your problem. In fact iam not able to find
out that problem is.

what is the error msg
what did you do
do you need a sge script to submit job in a super computer or a
cluster??? if so then what queing system all thes ethings are very imp

On Thu, Jul 26, 2012 at 7:33 AM, Mark Abraham <Mark.Abraham at anu.edu.au> wrote:
> 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 manual.
>
> Mark
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