[gmx-users] Re: colour of the molecules
chaban at univer.kharkov.ua
Wed Aug 13 09:24:25 CEST 2008
>> 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?
>> Any suggestions are appreciated.
You should name each molecule (atom? particle?) with unique symbols.
You should do it in your topology file.
The names in conf.gro also must coincide with your unique names in
topol.top (or .itp).
Vitaly V. Chaban
School of Chemistry
National University of Kharkiv
Svoboda sq., 4, Kharkiv 61077, Ukraine
email: chaban at univer.kharkov.ua
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