Liu Shiyong wrote:
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?
Use make_ndx to merge the groups and pass the index file to trjconv.
-Justin
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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--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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