On 8/16/17 3:40 AM, Naba wrote:
Dear users, Please let me know whether it is feasible and relevant or not if I use COM pulling for mechanical unfolding of proteins. More specifically, whether I can define the two group within the same molecule !!
You can define groups of any atoms, and you can do exactly what you propose with the pull code. People do it all the time.
-Justin -- ================================================== Justin A. Lemkul, Ph.D. Assistant Professor Virginia Tech Department of Biochemistry 303 Engel Hall 340 West Campus Dr. Blacksburg, VA 24061 [email protected] | (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 [email protected].
