On 4/16/20 8:12 PM, Lei Qian wrote:
Dear users, Could I ask: how to run gmx trjconv without 2 prompts? I select 'Protein' to center, and 'System' to output. I put indexes of 'Protein' and 'System' into 1 .ndx file, add -n Protein_System.ndx to gmx trjconv command, however, Gromacs cannot do the selection automatically and asked me to choose from 'Protein' or 'System'.
http://manual.gromacs.org/documentation/5.1/onlinehelp/selections.html http://www.gromacs.org/Documentation/How-tos/Using_Commands_in_Scripts -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].
