On 3/12/18 10:37 AM, Dawid das wrote:
Dear Gromacs Users, Is possible to decrease force constant for position restraints as the MD simulation progresses? For instance I start with 1000 kJ/(mol *nm2) and after 20 ps I go to 800 kJ/(mol*nm2), then after 20 ps to 600 kJ/(mol*nm2), etc.?
No, you have to do individual simulations with different force constants. -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.
