On 8/23/18 9:13 AM, vijayakumar gosu wrote:
Dear Justin, Thank you for your prompt response. I have one more query that can we use the modified trajectory for rerun option to recompute interaction energies with less number of frames, since i have long trajectory as well as large complex.
You can compute an interaction energy for any number of frames, including a single coordinate file.
-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.