hhhh huan wrote:
Dear all gmx-users and developers,
There are 6 different type of molecules in my simulation system. So how can I differentiate o recognize the type of those molecules? which files (topology, trr or others) should I look at?
If this is a simple visualization issue, it can be taken care of within (for
example) VMD. Each residue in your system should have a unique residue number
(or for each molecule, if they are separate entities).
You can use "resid 1" and a ColorID designator in VMD to illustrate just
molecule/residue 1.
All of this information comes from the structure file (.gro/.pdb).
-Justin
Any suggestions are appreciated.
Thanks
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--
========================================
Justin A. Lemkul
Graduate Research Assistant
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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