Thank you!
Best regards On Tue, Nov 14, 2017 at 3:36 AM, Justin Lemkul <jalem...@vt.edu> wrote: > > > On 11/13/17 5:24 AM, Faezeh Pousaneh wrote: > >> Hi, >> Unfortunately I do not find in Gromos literature what is the third number >> in front of >> bond stretching parameters, e.g 1200 below: >> : >> >> ; ICB(H)[N] CB[N] B0[N] >> #define gb_5 0.1230 1.6600e+07 >> ; C - O 1200 >> >> someone please tell me, >> > > It's an integer code from the original GROMOS parameter files. Note that > it is on a comment line and thus serves no function in GROMACS. > > -Justin > > -- > ================================================== > > Justin A. Lemkul, Ph.D. > Assistant Professor > Virginia Tech Department of Biochemistry > > 303 Engel Hall > 340 West Campus Dr. > Blacksburg, VA 24061 > > jalem...@vt.edu | (540) 231-3129 > http://www.biochem.vt.edu/people/faculty/JustinLemkul.html > > ================================================== > > -- > 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 gmx-users-requ...@gromacs.org. > -- 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 gmx-users-requ...@gromacs.org.