On 11/6/19 4:31 AM, Mijiddorj B wrote:
Dear gmx users, I trying to prepare the parameters of polymer which consists of a number of units for gromacs calculations. A references ( https://www.cell.com/biophysj/pdf/S0006-3495(18)34339-X.pdf) introduced the polymer builder in charmm-gui. However, I could not find this application in CHARMM-GUI web. How can I prepare the long polymer structures and corresponding parameters? If you do not mind, please advice me.
I suggest you direct CHARMM-GUI questions to their developers. This is not a GROMACS issue.
-Justin
Best regards, Mijiddorj------------------------------ Message: 2 Date: Tue, 5 Nov 2019 15:18:34 +0900 From: Mijiddorj B <b.mijidd...@gmail.com> To: gromacs.org_gmx-users@maillist.sys.kth.se Subject: [gmx-users] Polymer parameter preparation using CHARMM-GUI Message-ID: <CABgRApsbUa591KZz9ru_79k=YSGmbbiz32xp8kheKx7= kk_...@mail.gmail.com> Content-Type: text/plain; charset="UTF-8" Dear gmx users, I trying to prepare the parameters of polymer which consists of a number of units for gromacs calculations. A references ( https://www.cell.com/biophysj/pdf/S0006-3495(18)34339-X.pdf) introduced the polymer builder in charmm-gui. However, I could not find this application in CHARMM-GUI web. How can I prepare the long polymer structures and corresponding parameters? If you do not mind, please advice me. Best regards, Mijiddorj ------------------------------
-- ================================================== 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.
