On 9/26/14 12:23 PM, Yaser Hosseini wrote:
hi gromacs user i have problem with grompp command in gromacs i cant find .mdp files and i cant pass step 4 in this tutorial: http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/lysozyme_old/04_ions.html im new in gromacs please help me to find a way to fix my problems.
I already told you this yesterday - the tutorial gives you the file to download. On that page, note the section:
"An .mdp file is normally used to run energy minimization or an MD simulation, but in this case is simply used to generate an atomic description of the system. An example .mdp file (the one we will use) can be downloaded here."
Note that the word "here" is a link from which you can download the file. If you're not familiar with file downloads, text files, or examining/editing their content, you should probably stop with tutorial material and consider some Linux basics in terms of file management before attempting to do something complex like MD simulations.
-Justin -- ================================================== Justin A. Lemkul, Ph.D. Ruth L. Kirschstein NRSA Postdoctoral Fellow Department of Pharmaceutical Sciences School of Pharmacy Health Sciences Facility II, Room 601 University of Maryland, Baltimore 20 Penn St. Baltimore, MD 21201 [email protected] | (410) 706-7441 http://mackerell.umaryland.edu/~jalemkul ================================================== -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to [email protected].
