On 1/11/19 8:12 AM, ZHANG Cheng wrote:
I got the a99SBdisp force field with a tip4pd.itp water model. How can I convert it to a tip4pd.gro file? I need this water gro file for "gmx solvate".
You can use the normal tip4p.gro that is provided already. After minimization/equilibration, the coordinates will have reoriented themselves according to the new 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 [email protected] | (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 [email protected].
