On 10/12/18 3:23 AM, Rakesh Mishra wrote:
Dear Justin . Thanks for your response. And yes of course google is best friend for all. "distance" method requires Y/N, whereas the "direction" method requires a vector." But , "direction" method (where vector needs to define ) also gives the same result as we obtain the result in case of geometry define as "distance" (where we do not define vector). Just please tell me (in case of pull_geometry = direction) , what is the difference between following below two conditions. pull_coord1_vec = 1 0 0 pull_coord1_dim = Y N N & pull_coord1_vec = 1 0 0 pull_coord1_dim = N N Y
There is no difference except for the geometry type being used.
and vector can be 0/1 or may be decimal number like 0.2 , 0.5 3tc. Hoping for your precious response
You can specify any vector through space, but as the documentation says, grompp normalizes the vector.
-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.thelemkullab.com ================================================== -- 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.
