[gmx-users] Re: Attention:urgent

R.S.K.Vijayan biovijayan at gmail.com
Thu Jul 26 15:19:45 CEST 2012

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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