On 3/9/19 12:23 PM, Stefano Guglielmo wrote:
Dear gromacs users, I have a system with a topology generated from Amber and then converted through ParmEd into gromacs-formatted stuff. I would like to add distance restraints for several pairs of atoms (ca 20). Is it possible to add them with grompp or should I edit the .top file some way?
Distance restraints need to be defined in the topology. -Justin -- ================================================== Justin A. Lemkul, Ph.D. Assistant Professor Office: 301 Fralin Hall Lab: 303 Engel Hall Virginia Tech Department of Biochemistry 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.
