[gmx-users] trjconv problem for two groups

Liu Shiyong liushiyong at gmail.com
Fri Jul 29 16:47:19 CEST 2011


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
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Biomolecular Physics and Modeling Group, Department of Physics,
Huazhong University of Science and Technology, Wuhan 430074, Hubei, China
Tel:86-27-87558335-805
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Chinese Version:
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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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