[gmx-users] Re: about size of group of monomers vs time
chaban at univer.kharkov.ua
Thu Aug 14 00:22:14 CEST 2008
> Hi users
> I am modeling the aggregation of an amphoteric molecule in aqueous media, and to analyze the trajectories,
> I want to plot the number of monomers in the aggregates vs time and the kind of groups because in some trajectories i have dimers and monomers, or dimers and trimers and so on
> Is there any program in Gromacs to do this?
> thanks in advance
> ROGELIO HERNANDEZ
See trajectory analysis section. There are some ways to do what you want.
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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