Dear all, I tried to output protein-ligand complex from trr file . Could I select both Group 2 and Group 12 at the same time ?
Or I have to run this command for every group , respectively? Select group for output Opening library file /usr/share/gromacs/top//aminoacids.dat Group 0 ( System) has 253787 elements Group 1 ( Protein) has 3403 elements Group 2 ( Protein-H) has 2655 elements Group 3 ( C-alpha) has 328 elements Group 4 ( Backbone) has 984 elements Group 5 ( MainChain) has 1313 elements Group 6 (MainChain+Cb) has 1623 elements Group 7 ( MainChain+H) has 1627 elements Group 8 ( SideChain) has 1776 elements Group 9 ( SideChain-H) has 1342 elements Group 10 ( Prot-Masses) has 3403 elements Group 11 ( Non-Protein) has 250384 elements Group 12 ( DRG) has 28 elements Group 13 ( SOL) has 250356 elements Group 14 ( Other) has 250384 elements Select a group: Best Shiyong -- Shiyong Liu ------------------------------------------------------------------ Biomolecular Physics and Modeling Group, Department of Physics, Huazhong University of Science and Technology, Wuhan 430074, Hubei, China Tel：86-27-87558335-805 ------------------------------------------------------------------ Chinese Version: ------------------------------------------------------------------ 刘士勇 华中科技大学物理学院 生物物理模建小组 湖北省武汉市洪山区珞瑜路1037号 邮编：430074 电话：86-27-87558335-805 -------------------------------------------------------------------
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