[gmx-users] flexible spc water model

Nilesh Dhumal ndhumal at andrew.cmu.edu
Fri Mar 25 16:55:02 CET 2011


Hello,

I am want to use flexible spc water model for my simulation.

I define=-DFLEX_SPC in my mdp and mentioned  #include "spc.itp" in my .top
file.

Does it correct?


 I am using gromacs 4.0.7 version.
Thanks

Nilesh

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