On 5/18/12 3:56 PM, Ricardo O. S. Soares wrote:
Hi everybody,
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.
That's not true. You can do something like:
#include "popc.itp"
#include "posre_popc.itp"
#include "pope.itp"
#include "posre_pope.itp"
This way, the position restraints will be applied to two separate [moleculetype]
blocks at once.
-Justin
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?
Thanks
Ricardo.
////
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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.
Curriculum Lattes:http://lattes.cnpq.br/0777038258459931
[email protected],[email protected]
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
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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