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.