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.abra...@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 > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > * Only plain text messages are allowed! > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > * Please don't post (un)subscribe requests to the list. Use the www > interface or send it to gmx-users-requ...@gromacs.org. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
