[gmx-users] Different Lipids into one Moleculetype (for position restrain)
Ricardo O. S. Soares
ross_usp at yahoo.com.br
Fri May 18 21:56:48 CEST 2012
I'm working with a mixed membrane for the first time (POPC+POPE), and I want to restrain the all phosphors (only Z axis).
However they belong to different [ moleculetype ] (ie. POPC and POPE), and GROMACS does not restrain more than one molecule type at a time.
What implications would I have should I set both "POPC" and "POPE" to "Lipid", however in different itp files.
Does anyone know a more elegant solution?
Ricardo O. S. Soares , PhD Student.
Group of Biological Physics - Department of Physics & Chemistry
Faculty of Pharmaceutical Sciences at Ribeirão Preto - University of São Paulo.
Av.do Café, S/N - ZIP:14040-903 - Ribeirão Preto, São Paulo, Brazil.
Phone: +55 16 36024840.
ross_usp at yahoo.com.br,rsoares at fcfrp.usp.br
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users