On 11/28/17 12:23 AM, rose rahmani wrote:
Hello; I took 2000 configuration from trajconv. Amino acid is in its normal shape till almost conf1000.gro(and a little more). But in for example conf1300.gro amino acid was disintegrated. What does it mean? Would you please help me?
Bonds can't break and molecules can't "disintegrate" - what you're seeing is probably a result of PBC.
http://www.gromacs.org/Documentation/Terminology/Periodic_Boundary_Conditions -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.
