Hi Vidhya, You can also find the qmmm_examples in your downloaded gromacs source code: gmx-3.3.1_qmmm-1.3.2.
location: gmx-3.3.1_qmmm-1.3.2/share/qmmm_examples You will find the templates of 'CPMD_inp.tmpl' and 'runcpmd' there in the examples. However, all the runcpmd templates seem to be for parallel run. If you use a serial version for CPMD, just use the following line in your runcpmd (instead all those lamboot, lamclean, mpirun) (path to cpmd executable)/cpmd.x CPMD_inp.run or simply cpmd.x CPMD_inp.run if cpmd.x is globally accessible. pb. On Wed, Aug 20, 2008 at 6:55 AM, vidhya sankar <[EMAIL PROTECTED]>wrote: > > dear sir, > i am vidhya sankar speaking . i am not able to down load QM/MM > exampiles files since it take much time and huge memory (156Mb) often net is > disconnected > could you please send some example input files of CPMD part mainly > 'CPMD_inp.tmpl' > 'runcpmd' ? > please i am expecting your reply soon > > > > > > --- On *Fri, 15/8/08, Pradip Biswas <[EMAIL PROTECTED]>* wrote: > > From: Pradip Biswas <[EMAIL PROTECTED]> > Subject: [gmx-users] New Gromacs-CPMD QMMM webpage > To: gmx-users@gromacs.org > Date: Friday, 15 August, 2008, 4:41 AM > > > Dear Users, > The modified Gromacs code for Gromacs-CPMD QMMM is now available at: > > http://www.tougaloo.edu/research/qmmm/ > > Please note that we fixed a bug related to MM layering in the version > gmx-3.3.1_qmmm-1.3.1 and uploaded a new version, gmx-3.3.1_qmmm-1.3.2. If > you are using version 1.3.1, you should upgrade to v-1.3.2 or contact us ( > [EMAIL PROTECTED]) to fix the typos in v-1.3.1. > > The site http://comppsi.csuohio.edu/groups/qmmm.html is offline because of > lab renovation and will not be maintained hereafter. The Gromacs-CPMD page > will henceforth be continued in the above mentioned site. > > Cheers, > Pradip K Biswas. > > > _______________________________________________ > gmx-users mailing list [EMAIL > PROTECTED]://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > > > ------------------------------ > Connect with friends all over the world. Get Yahoo! India > Messenger.<http://in.rd.yahoo.com/tagline_messenger_1/*http://in.messenger.yahoo.com/?wm=n/> > > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php >
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